367 lines
13 KiB
Text
367 lines
13 KiB
Text
@bin bin/obabel
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@bin bin/obconformer
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@bin bin/obdistgen
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@bin bin/obenergy
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@bin bin/obfit
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@bin bin/obfitall
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@bin bin/obgen
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@bin bin/obgrep
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@bin bin/obminimize
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@bin bin/obmm
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@bin bin/obprobe
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@bin bin/obprop
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@bin bin/obrms
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@bin bin/obrotamer
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@bin bin/obrotate
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@bin bin/obspectrophore
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@bin bin/obsym
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@bin bin/obtautomer
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@bin bin/obthermo
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@bin bin/roundtrip
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include/coordgen/
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include/coordgen/CoordgenConfig.hpp
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include/coordgen/CoordgenFragmentBuilder.h
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include/coordgen/CoordgenFragmenter.h
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include/coordgen/CoordgenMacrocycleBuilder.h
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include/coordgen/CoordgenMinimizer.h
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include/coordgen/sketcherMinimizer.h
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include/coordgen/sketcherMinimizerAtom.h
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include/coordgen/sketcherMinimizerBendInteraction.h
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include/coordgen/sketcherMinimizerBond.h
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include/coordgen/sketcherMinimizerClashInteraction.h
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include/coordgen/sketcherMinimizerEZConstrainInteraction.h
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include/coordgen/sketcherMinimizerFragment.h
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include/coordgen/sketcherMinimizerInteraction.h
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include/coordgen/sketcherMinimizerMarchingSquares.h
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include/coordgen/sketcherMinimizerMaths.h
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include/coordgen/sketcherMinimizerMolecule.h
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include/coordgen/sketcherMinimizerResidue.h
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include/coordgen/sketcherMinimizerResidueInteraction.h
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include/coordgen/sketcherMinimizerRing.h
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include/coordgen/sketcherMinimizerStretchInteraction.h
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include/inchi/
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include/inchi/inchi_api.h
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include/maeparser/
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include/maeparser/Buffer.hpp
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include/maeparser/MaeBlock.hpp
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include/maeparser/MaeConstants.hpp
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include/maeparser/MaeParser.hpp
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include/maeparser/MaeParserConfig.hpp
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include/maeparser/Reader.hpp
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include/maeparser/Writer.hpp
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include/openbabel3/
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include/openbabel3/LBFGS/
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include/openbabel3/LBFGS.h
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include/openbabel3/LBFGS/LineSearchBacktracking.h
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include/openbabel3/LBFGS/LineSearchBracketing.h
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include/openbabel3/LBFGS/LineSearchNocedalWright.h
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include/openbabel3/LBFGS/Param.h
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include/openbabel3/openbabel/
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include/openbabel3/openbabel/alias.h
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include/openbabel3/openbabel/atom.h
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include/openbabel3/openbabel/babelconfig.h
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include/openbabel3/openbabel/base.h
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include/openbabel3/openbabel/bitvec.h
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include/openbabel3/openbabel/bond.h
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include/openbabel3/openbabel/bondtyper.h
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include/openbabel3/openbabel/builder.h
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include/openbabel3/openbabel/canon.h
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include/openbabel3/openbabel/chains.h
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include/openbabel3/openbabel/chargemodel.h
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include/openbabel3/openbabel/chemdrawcdx.h
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include/openbabel3/openbabel/conformersearch.h
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include/openbabel3/openbabel/data.h
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include/openbabel3/openbabel/data_utilities.h
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include/openbabel3/openbabel/depict/
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include/openbabel3/openbabel/depict/asciipainter.h
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include/openbabel3/openbabel/depict/cairopainter.h
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include/openbabel3/openbabel/depict/commandpainter.h
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include/openbabel3/openbabel/depict/depict.h
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include/openbabel3/openbabel/depict/painter.h
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include/openbabel3/openbabel/depict/svgpainter.h
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include/openbabel3/openbabel/descriptor.h
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include/openbabel3/openbabel/distgeom.h
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include/openbabel3/openbabel/dlhandler.h
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include/openbabel3/openbabel/elements.h
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include/openbabel3/openbabel/fingerprint.h
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include/openbabel3/openbabel/forcefield.h
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include/openbabel3/openbabel/format.h
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include/openbabel3/openbabel/generic.h
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include/openbabel3/openbabel/graphsym.h
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include/openbabel3/openbabel/grid.h
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include/openbabel3/openbabel/griddata.h
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include/openbabel3/openbabel/groupcontrib.h
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include/openbabel3/openbabel/inchiformat.h
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include/openbabel3/openbabel/internalcoord.h
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include/openbabel3/openbabel/isomorphism.h
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include/openbabel3/openbabel/json.h
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include/openbabel3/openbabel/kekulize.h
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include/openbabel3/openbabel/kinetics.h
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include/openbabel3/openbabel/lineend.h
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include/openbabel3/openbabel/locale.h
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include/openbabel3/openbabel/math/
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include/openbabel3/openbabel/math/align.h
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include/openbabel3/openbabel/math/erf.h
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include/openbabel3/openbabel/math/matrix3x3.h
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include/openbabel3/openbabel/math/spacegroup.h
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include/openbabel3/openbabel/math/transform3d.h
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include/openbabel3/openbabel/math/vector3.h
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include/openbabel3/openbabel/matrix.h
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include/openbabel3/openbabel/mcdlutil.h
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include/openbabel3/openbabel/mol.h
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include/openbabel3/openbabel/molchrg.h
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include/openbabel3/openbabel/obconversion.h
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include/openbabel3/openbabel/oberror.h
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include/openbabel3/openbabel/obfunctions.h
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include/openbabel3/openbabel/obiter.h
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include/openbabel3/openbabel/obmolecformat.h
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include/openbabel3/openbabel/obutil.h
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include/openbabel3/openbabel/op.h
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include/openbabel3/openbabel/optransform.h
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include/openbabel3/openbabel/parsmart.h
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include/openbabel3/openbabel/patty.h
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include/openbabel3/openbabel/phmodel.h
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include/openbabel3/openbabel/plugin.h
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include/openbabel3/openbabel/pointgroup.h
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include/openbabel3/openbabel/query.h
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include/openbabel3/openbabel/reaction.h
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include/openbabel3/openbabel/reactionfacade.h
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include/openbabel3/openbabel/residue.h
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include/openbabel3/openbabel/ring.h
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include/openbabel3/openbabel/rotamer.h
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include/openbabel3/openbabel/rotor.h
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include/openbabel3/openbabel/shared_ptr.h
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include/openbabel3/openbabel/spectrophore.h
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include/openbabel3/openbabel/stereo/
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include/openbabel3/openbabel/stereo/bindings.h
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include/openbabel3/openbabel/stereo/cistrans.h
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include/openbabel3/openbabel/stereo/squareplanar.h
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include/openbabel3/openbabel/stereo/stereo.h
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include/openbabel3/openbabel/stereo/tetrahedral.h
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include/openbabel3/openbabel/stereo/tetranonplanar.h
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include/openbabel3/openbabel/stereo/tetraplanar.h
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include/openbabel3/openbabel/tautomer.h
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include/openbabel3/openbabel/text.h
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include/openbabel3/openbabel/tokenst.h
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include/openbabel3/openbabel/typer.h
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include/openbabel3/openbabel/xml.h
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lib/cmake/coordgen-config${MODCMAKE_BUILD_SUFFIX}
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lib/cmake/coordgen-config.cmake
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lib/cmake/maeparser-config${MODCMAKE_BUILD_SUFFIX}
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lib/cmake/maeparser-config.cmake
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lib/cmake/openbabel3/
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lib/cmake/openbabel3/OpenBabel3Config.cmake
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lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
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lib/cmake/openbabel3/OpenBabel3_EXPORTS${MODCMAKE_BUILD_SUFFIX}
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lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
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@lib lib/libcoordgen.so.${LIBcoordgen_VERSION}
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@lib lib/libinchi.so.${LIBinchi_VERSION}
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@lib lib/libmaeparser.so.${LIBmaeparser_VERSION}
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@lib lib/libopenbabel.so.${LIBopenbabel_VERSION}
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lib/openbabel/
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lib/openbabel/${V}/
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@so lib/openbabel/${V}/APIInterface.so
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@so lib/openbabel/${V}/CSRformat.so
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@so lib/openbabel/${V}/MCDLformat.so
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@so lib/openbabel/${V}/MNAformat.so
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@so lib/openbabel/${V}/PQSformat.so
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@so lib/openbabel/${V}/abinitformat.so
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@so lib/openbabel/${V}/acesformat.so
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@so lib/openbabel/${V}/acrformat.so
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@so lib/openbabel/${V}/adfformat.so
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@so lib/openbabel/${V}/alchemyformat.so
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@so lib/openbabel/${V}/amberformat.so
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@so lib/openbabel/${V}/aoforceformat.so
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@so lib/openbabel/${V}/asciiformat.so
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@so lib/openbabel/${V}/balstformat.so
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@so lib/openbabel/${V}/bgfformat.so
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@so lib/openbabel/${V}/boxformat.so
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@so lib/openbabel/${V}/cacaoformat.so
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@so lib/openbabel/${V}/cacheformat.so
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@so lib/openbabel/${V}/carformat.so
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@so lib/openbabel/${V}/castepformat.so
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@so lib/openbabel/${V}/cccformat.so
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@so lib/openbabel/${V}/cdxmlformat.so
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@so lib/openbabel/${V}/chem3dformat.so
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@so lib/openbabel/${V}/chemdoodlejsonformat.so
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@so lib/openbabel/${V}/chemdrawcdx.so
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@so lib/openbabel/${V}/chemdrawct.so
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@so lib/openbabel/${V}/chemkinformat.so
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@so lib/openbabel/${V}/chemtoolformat.so
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@so lib/openbabel/${V}/cifformat.so
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@so lib/openbabel/${V}/cmlformat.so
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@so lib/openbabel/${V}/cmlreactformat.so
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@so lib/openbabel/${V}/cofformat.so
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@so lib/openbabel/${V}/confabreport.so
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@so lib/openbabel/${V}/copyformat.so
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@so lib/openbabel/${V}/crkformat.so
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@so lib/openbabel/${V}/crystal09format.so
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@so lib/openbabel/${V}/cssrformat.so
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@so lib/openbabel/${V}/daltonformat.so
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@so lib/openbabel/${V}/dlpolyformat.so
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@so lib/openbabel/${V}/dmolformat.so
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@so lib/openbabel/${V}/exyzformat.so
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@so lib/openbabel/${V}/fastaformat.so
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@so lib/openbabel/${V}/fastsearchformat.so
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@so lib/openbabel/${V}/fchkformat.so
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@so lib/openbabel/${V}/featformat.so
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@so lib/openbabel/${V}/fhformat.so
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@so lib/openbabel/${V}/fhiaimsformat.so
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@so lib/openbabel/${V}/fingerprintformat.so
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@so lib/openbabel/${V}/fpsformat.so
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@so lib/openbabel/${V}/freefracformat.so
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@so lib/openbabel/${V}/gamessformat.so
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@so lib/openbabel/${V}/gamessukformat.so
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@so lib/openbabel/${V}/gausscubeformat.so
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@so lib/openbabel/${V}/gaussformat.so
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@so lib/openbabel/${V}/gausszmatformat.so
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@so lib/openbabel/${V}/ghemicalformat.so
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@so lib/openbabel/${V}/groformat.so
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@so lib/openbabel/${V}/gromos96format.so
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@so lib/openbabel/${V}/gulpformat.so
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@so lib/openbabel/${V}/hinformat.so
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@so lib/openbabel/${V}/inchiformat.so
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@so lib/openbabel/${V}/jaguarformat.so
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@so lib/openbabel/${V}/lmpdatformat.so
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@so lib/openbabel/${V}/lpmdformat.so
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@so lib/openbabel/${V}/maeformat.so
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@so lib/openbabel/${V}/mdffformat.so
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@so lib/openbabel/${V}/mdlformat.so
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@so lib/openbabel/${V}/mmcifformat.so
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@so lib/openbabel/${V}/mmodformat.so
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@so lib/openbabel/${V}/mol2format.so
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@so lib/openbabel/${V}/moldenformat.so
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@so lib/openbabel/${V}/molproformat.so
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@so lib/openbabel/${V}/molreport.so
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@so lib/openbabel/${V}/mopacformat.so
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@so lib/openbabel/${V}/mpdformat.so
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@so lib/openbabel/${V}/mpqcformat.so
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@so lib/openbabel/${V}/msiformat.so
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@so lib/openbabel/${V}/msmsformat.so
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@so lib/openbabel/${V}/nulformat.so
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@so lib/openbabel/${V}/nwchemformat.so
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@so lib/openbabel/${V}/opendxformat.so
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@so lib/openbabel/${V}/orcaformat.so
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@so lib/openbabel/${V}/outformat.so
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@so lib/openbabel/${V}/painterformat.so
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@so lib/openbabel/${V}/pcmodelformat.so
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@so lib/openbabel/${V}/pdbformat.so
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@so lib/openbabel/${V}/pdbqtformat.so
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@so lib/openbabel/${V}/plugin_charges.so
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@so lib/openbabel/${V}/plugin_descriptors.so
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@so lib/openbabel/${V}/plugin_fingerprints.so
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@so lib/openbabel/${V}/plugin_forcefields.so
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@so lib/openbabel/${V}/plugin_ops.so
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@so lib/openbabel/${V}/png2format.so
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@so lib/openbabel/${V}/pngformat.so
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@so lib/openbabel/${V}/pointcloudformat.so
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@so lib/openbabel/${V}/posformat.so
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@so lib/openbabel/${V}/povrayformat.so
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@so lib/openbabel/${V}/pqrformat.so
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@so lib/openbabel/${V}/pubchem.so
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@so lib/openbabel/${V}/pubchemjsonformat.so
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@so lib/openbabel/${V}/pwscfformat.so
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@so lib/openbabel/${V}/qchemformat.so
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@so lib/openbabel/${V}/reportformat.so
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@so lib/openbabel/${V}/rinchiformat.so
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@so lib/openbabel/${V}/rsmiformat.so
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@so lib/openbabel/${V}/rxnformat.so
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@so lib/openbabel/${V}/shelxformat.so
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@so lib/openbabel/${V}/siestaformat.so
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@so lib/openbabel/${V}/smilesformat.so
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@so lib/openbabel/${V}/smileyformat.so
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@so lib/openbabel/${V}/stlformat.so
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@so lib/openbabel/${V}/svgformat.so
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@so lib/openbabel/${V}/textformat.so
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@so lib/openbabel/${V}/thermoformat.so
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@so lib/openbabel/${V}/tinkerformat.so
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@so lib/openbabel/${V}/titleformat.so
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@so lib/openbabel/${V}/turbomoleformat.so
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@so lib/openbabel/${V}/unichemformat.so
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@so lib/openbabel/${V}/vaspformat.so
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@so lib/openbabel/${V}/viewmolformat.so
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@so lib/openbabel/${V}/wlnformat.so
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@so lib/openbabel/${V}/xedformat.so
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@so lib/openbabel/${V}/xmlformat.so
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@so lib/openbabel/${V}/xsfformat.so
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@so lib/openbabel/${V}/xyzformat.so
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@so lib/openbabel/${V}/yasaraformat.so
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@so lib/openbabel/${V}/zindoformat.so
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lib/pkgconfig/openbabel-3.pc
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@man man/man1/obabel.1
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@man man/man1/obchiral.1
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@man man/man1/obconformer.1
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@man man/man1/obdistgen.1
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@man man/man1/obenergy.1
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@man man/man1/obfit.1
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@man man/man1/obgen.1
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@man man/man1/obgrep.1
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@man man/man1/obgui.1
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@man man/man1/obminimize.1
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@man man/man1/obprobe.1
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@man man/man1/obprop.1
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@man man/man1/obrms.1
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@man man/man1/obrotamer.1
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@man man/man1/obrotate.1
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@man man/man1/obspectrophore.1
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@man man/man1/obsym.1
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@man man/man1/obtautomer.1
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@man man/man1/obthermo.1
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@man man/man1/roundtrip.1
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share/openbabel/
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share/openbabel/${V}/
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share/openbabel/${V}/MACCS.txt
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share/openbabel/${V}/SMARTS_InteLigand.txt
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share/openbabel/${V}/UFF.prm
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share/openbabel/${V}/atomization-energies.txt
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share/openbabel/${V}/atomtyp.txt
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share/openbabel/${V}/babel_povray3.inc
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share/openbabel/${V}/bondtyp.txt
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share/openbabel/${V}/eem.txt
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share/openbabel/${V}/eem2015ba.txt
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share/openbabel/${V}/eem2015bm.txt
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share/openbabel/${V}/eem2015bn.txt
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share/openbabel/${V}/eem2015ha.txt
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share/openbabel/${V}/eem2015hm.txt
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share/openbabel/${V}/eem2015hn.txt
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share/openbabel/${V}/eqeqIonizations.txt
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share/openbabel/${V}/gaff.dat
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share/openbabel/${V}/gaff.prm
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share/openbabel/${V}/ghemical.prm
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share/openbabel/${V}/logp.txt
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share/openbabel/${V}/mmff94.ff
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share/openbabel/${V}/mmff94s.ff
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share/openbabel/${V}/mmffang.par
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share/openbabel/${V}/mmffbndk.par
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share/openbabel/${V}/mmffbond.par
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share/openbabel/${V}/mmffchg.par
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share/openbabel/${V}/mmffdef.par
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share/openbabel/${V}/mmffdfsb.par
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share/openbabel/${V}/mmffoop.par
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share/openbabel/${V}/mmffpbci.par
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share/openbabel/${V}/mmffprop.par
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share/openbabel/${V}/mmffs_oop.par
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share/openbabel/${V}/mmffs_tor.par
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share/openbabel/${V}/mmffstbn.par
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share/openbabel/${V}/mmfftor.par
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share/openbabel/${V}/mmffvdw.par
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share/openbabel/${V}/mpC.txt
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share/openbabel/${V}/mr.txt
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share/openbabel/${V}/patterns.txt
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share/openbabel/${V}/phmodel.txt
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share/openbabel/${V}/plugindefines.txt
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share/openbabel/${V}/psa.txt
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share/openbabel/${V}/qeq.txt
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share/openbabel/${V}/resdata.txt
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share/openbabel/${V}/rigid-fragments-index.txt
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share/openbabel/${V}/rigid-fragments.txt
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share/openbabel/${V}/ring-fragments.txt
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share/openbabel/${V}/ringtyp.txt
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share/openbabel/${V}/space-groups.txt
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share/openbabel/${V}/splash.png
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share/openbabel/${V}/superatom.txt
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share/openbabel/${V}/svgformat.script
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share/openbabel/${V}/templates.sdf
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share/openbabel/${V}/torlib.txt
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share/openbabel/${V}/torsion.txt
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share/openbabel/${V}/types.txt
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