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Showing structure for CHEM004557: Hydramethylnon
5281875 -OEChem-10091907453D 59 61 0 0 0 0 0 0 0999 V2000 6.8581 -4.3132 -0.2376 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 -2.5973 -0.8872 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7478 -2.9844 1.2359 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.3635 -3.5400 -0.8494 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3428 -5.3178 -0.1411 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1300 -3.8781 1.2860 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 4.8337 -0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3328 4.8240 -0.4584 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 2.8492 -0.3646 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 2.0792 -0.4386 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 6.8977 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 6.2707 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 6.2965 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 6.6447 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 8.4183 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8127 4.2189 -0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.7914 -0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 -0.1214 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 0.0787 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 0.2237 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 -1.1364 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -0.6032 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7742 -1.8665 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4635 -1.9590 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7614 -1.5171 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 -0.0095 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -2.8881 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8588 -2.1589 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -3.2392 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -2.7420 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -2.2082 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9454 -0.7926 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 -3.5792 0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0928 -2.9962 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4761 -3.9786 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0137 6.5350 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 6.6333 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2605 6.6537 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 6.6331 -1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4788 7.0775 2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 7.1007 2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 5.5779 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 8.8751 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 8.6568 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 8.8976 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 4.2755 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8195 2.4367 -0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 -1.0427 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 0.6209 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 1.1698 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 -1.6411 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -2.4602 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6369 -0.7392 -1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.0538 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1942 -3.1640 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 -3.8054 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7411 -1.9329 -1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 -0.3292 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3303 -4.3811 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 5 35 1 0 0 0 0 6 35 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 46 1 0 0 0 0 8 13 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 47 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 30 1 0 0 0 0 24 52 1 0 0 0 0 25 31 1 0 0 0 0 25 53 1 0 0 0 0 26 32 2 0 0 0 0 26 54 1 0 0 0 0 27 33 2 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 29 35 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 5281875 > <PUBCHEM_CONFORMER_RMSD> 1 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 5 10 7 8 11 12 3 6 2 4 9 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 46 1 -0.34 10 -0.49 12 0.37 13 0.25 16 0.55 17 0.42 18 -0.14 19 -0.14 2 -0.34 20 -0.18 21 -0.18 22 0.03 23 0.03 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.14 29 -0.14 3 -0.34 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 1.16 35 1.16 4 -0.34 46 0.4 47 0.4 48 0.15 49 0.15 5 -0.34 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.34 7 -0.82 8 -0.7 9 -0.41 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 8.8 > <PUBCHEM_PHARMACOPHORE_FEATURES> 8 1 10 acceptor 1 7 donor 1 9 donor 3 11 14 15 hydrophobe 4 7 8 9 16 cation 6 22 24 26 28 30 32 rings 6 23 25 27 29 31 33 rings 6 7 8 11 12 13 16 rings > <PUBCHEM_HEAVY_ATOM_COUNT> 35 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 2 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 2 > <PUBCHEM_CONFORMER_ID> 0050985300000001 > <PUBCHEM_MMFF94_ENERGY> 96.0959 > <PUBCHEM_FEATURE_SELFOVERLAP> 40.649 > <PUBCHEM_SHAPE_FINGERPRINT> 10411042 1 18410011069626723423 11062273 23 18045774598874452745 11297750 10 18272358777092896720 11720765 8 18265614475651972483 11763715 3 18264793071831482676 12440610 7 17837777725353473054 12758862 56 18334292089738034035 13008946 170 17834952349641992685 13248334 5 17906172106960672941 13835254 42 18410291419975980704 13955234 65 17833836349703150361 14150023 79 17473546231935235845 15064981 194 18263371283217246756 15400415 2 17401484849963324068 15927050 60 17761771763174193110 16664035 1 18337956800437321227 16992752 21 18409741651456747454 19301679 30 18411135836279631718 20771845 65 18338240487163310051 21716022 299 18042136512471666420 21792938 169 17692797599230582071 23559900 14 18119523491342002603 24771750 20 17394171366313022628 249999 5 17689998260022053801 25242607 90 18339918320175095066 3534868 343 18261688072775071412 3627633 1 18410575046019299725 4046055 4 18408604738525776956 4408954 87 17767708070198860185 44280117 145 18337677387777980214 4461854 278 17979653238451361641 504843 32 17833832672852929780 6058803 2 18042974160539360262 6376802 90 17909271287169621358 6697151 62 18193248975673072807 6698420 124 17551512138094942040 6700243 42 17913524305609349252 6703917 75 17763472712237158196 77188 2 18338517555129210645 9896288 288 17974861570406985553 > <PUBCHEM_SHAPE_MULTIPOLES> 656.72 18.06 14.62 0.96 19.8 39.75 0.26 -46.9 0.93 -17.82 2.33 -0.43 0.21 0.38 > <PUBCHEM_SHAPE_SELFOVERLAP> 1402.039 > <PUBCHEM_SHAPE_VOLUME> 366.2 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM004557: Hydramethylnon
