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Showing structure for CHEM004223: Carbonic difluoride
9623 -OEChem-10091907323D 4 3 0 0 0 0 0 0 0999 V2000 1.1582 0.6375 -0.0001 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 0.6380 -0.0001 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -1.2477 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0277 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 9623 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 4 1 -0.22 2 -0.22 3 -0.57 4 1.01 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 0 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 4 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 0000259700000001 > <PUBCHEM_MMFF94_ENERGY> 0.6256 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 139733 1 9290573633667886466 21015797 1 9079118885876439047 5943 1 12927280772696590490 > <PUBCHEM_SHAPE_MULTIPOLES> 61.9 1.1 1.06 0.52 0 0.33 0 -0.38 0 0 0 0 0.01 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 108.59 > <PUBCHEM_SHAPE_VOLUME> 40.7 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM004223: Carbonic difluoride