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Showing structure for CHEM009190: Trimethoxypropylsilane
61254 -OEChem-10091909453D 26 25 0 0 0 0 0 0 0999 V2000 0.4483 0.0042 -0.0589 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 -0.0261 1.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 1.3713 -1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -1.3585 -1.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 0.0086 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 0.0355 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -0.0112 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -0.0340 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 2.6577 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 -2.6476 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 0.8759 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 -0.8788 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 0.9427 -0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 -0.8179 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5945 0.0111 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 -0.9264 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 0.8468 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.8710 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -0.9255 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -0.0550 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 3.4038 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 2.7782 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4314 2.8488 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 -2.8251 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 -2.7876 0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -3.3911 -1.2136 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 1 5 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 61254 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 17 13 7 5 14 16 8 4 11 15 12 10 9 2 6 3 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 8 1 0.97 10 0.28 2 -0.58 3 -0.58 4 -0.58 5 -0.08 8 0.28 9 0.28 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 5 > <PUBCHEM_PHARMACOPHORE_FEATURES> 1 1 7 hydrophobe > <PUBCHEM_HEAVY_ATOM_COUNT> 10 > <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> 0000EF4600000001 > <PUBCHEM_MMFF94_ENERGY> 9.6662 > <PUBCHEM_FEATURE_SELFOVERLAP> 5.074 > <PUBCHEM_SHAPE_FINGERPRINT> 10219947 1 18410289207365995523 12423570 1 13426215750447002780 13380536 167 17834669783421620718 14993402 34 18338513144440072492 15219459 52 18266734873505339822 161256 15 18054512404689355574 20511035 2 17825679008127159393 20711978 78 16986298366765743406 20711985 344 17540542318488428131 21501502 16 17834674890338143738 241688 4 17833003654022631915 2748010 2 18122627141671941015 3248919 1 18411710893903486051 3250762 1 17619059539150002626 68250623 7 17828488303317520090 > <PUBCHEM_SHAPE_MULTIPOLES> 206.4 4.05 2.32 1.07 3.44 0.02 -0.03 -0.01 -1.43 -1.02 0.89 -0.29 -0.01 -0.01 > <PUBCHEM_SHAPE_SELFOVERLAP> 360.462 > <PUBCHEM_SHAPE_VOLUME> 137.4 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM009190: Trimethoxypropylsilane
