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Showing structure for CHEM004023: Silane, chlorotrimethyl-
6397 -OEChem-10091907233D 14 13 0 0 0 0 0 0 0999 V2000 1.9889 -0.0018 -0.0010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 0.0001 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -1.3485 -1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 -0.3159 1.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 1.6660 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -2.3265 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 -1.3907 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -1.1819 -2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2769 -1.2820 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 0.4594 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7323 -0.3250 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7316 1.7205 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 2.4644 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 1.8679 -1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 6397 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 5 1 -0.37 2 0.61 3 -0.08 4 -0.08 5 -0.08 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 0 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <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> 000018FD00000001 > <PUBCHEM_MMFF94_ENERGY> -0.2967 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 137420 1 15157808120308158334 16714656 1 10538655975562331762 24536 1 16773794797109586442 5943 1 12029229675486213505 > <PUBCHEM_SHAPE_MULTIPOLES> 122.98 1.65 1.51 1.51 1.26 0.44 0.54 0 0 -0.51 -0.54 -0.51 -0.44 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 188.527 > <PUBCHEM_SHAPE_VOLUME> 89.9 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM004023: Silane, chlorotrimethyl-