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Showing structure for T3D3557: Chlorine nitrate
114934 -OEChem-10171907563D 5 4 0 0 0 0 0 0 0999 V2000 2.0399 0.0018 0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5562 0.7838 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3131 -1.2459 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6926 0.5063 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5904 -0.0459 -0.0002 N 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 2 3 -1 5 1 M END > <PUBCHEM_COMPOUND_CID> 114934 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 2 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 5 1 -0.06 2 0.07 3 -0.52 4 -0.52 5 1.03 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 1 > <PUBCHEM_PHARMACOPHORE_FEATURES> 2 1 3 acceptor 1 4 acceptor > <PUBCHEM_HEAVY_ATOM_COUNT> 5 > <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> 0001C0F600000001 > <PUBCHEM_MMFF94_ENERGY> 8.6034 > <PUBCHEM_FEATURE_SELFOVERLAP> 10.219 > <PUBCHEM_SHAPE_FINGERPRINT> 139733 1 9295022257877281536 16714656 1 18334862692805646284 20096714 4 18408886243535310816 21015797 1 9004758880172342857 5460574 1 9223232948834426144 > <PUBCHEM_SHAPE_MULTIPOLES> 82.18 2.29 0.97 0.54 0.69 0.24 0 -0.28 0 -0.11 0 0.08 0 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 136.445 > <PUBCHEM_SHAPE_VOLUME> 58 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for T3D3557: Chlorine nitrate