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Showing structure for CDB000616 (Hydrazine)
9321 -OEChem-09042100413D 6 5 0 0 0 0 0 0 0999 V2000 0.7101 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 -0.5396 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -0.4863 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0453 -0.9592 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 0.4854 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 9321 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 6 1 -0.72 2 -0.72 3 0.36 4 0.36 5 0.36 6 0.36 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 0 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 2 > <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> 0000246900000001 > <PUBCHEM_MMFF94_ENERGY> 0.0214 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 260 1 8574713502780882945 > <PUBCHEM_SHAPE_MULTIPOLES> 31.2 1.02 0.51 0.51 0 0 0 0 0 0 0 0 0 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 40.913 > <PUBCHEM_SHAPE_VOLUME> 25.7 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CDB000616 (Hydrazine)