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-0.1507 1.5457 -1.6561 0.0401 -1.4953 -2.4835 -1.824 1.4481 0.5711 -0.3586 2.4186 2.4811 3.0379 -1.6779 -2.7866 -2.0059 0.0161 -0.9338 0.4594 2.1064 2.014 0.0833 0.6912 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00B51D5700000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 82.0107 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 40.716 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10366900 7 18201145611895010408 10646746 165 17489319563521780752 11132069 177 18410013230021439175 11370993 70 18202003218101028987 11640471 11 17060345093502895027 11796584 16 15430033244986202163 12077114 3 18114170904937582727 12236239 1 13984669122755537293 12251169 10 18335422361187801582 12363563 72 17313392252859216969 12507557 5 18343298188720952353 12553582 1 18335997431734299741 12633257 1 18272360997448583152 12644460 14 17604722191345320292 12670546 177 9871746918831151674 128620 24 10375869697098901412 13140716 1 18337111279688290924 13224815 77 18408890662945758901 13583140 156 18272357702791733934 13675066 3 18409729556105869038 13693222 15 18114471140410699743 14081887 123 18341897381037475851 14178342 30 18339932592629909339 14223421 5 18270685268233191319 14289901 80 17967538986158845199 14787075 74 17272004565242176121 15163728 17 14404085469849307835 15209294 21 17989486329371394602 15238133 3 18129400227504089329 15375358 24 18335130952199616381 15653759 3 17967533449845695974 15788980 27 17095519599740455926 16945 1 18410863126729227125 17349148 13 18335687382303174111 1813 80 17240205417609271070 18186145 218 17917718997749857532 19784866 240 14851605453405939081 200 152 17988914596684723887 20871999 31 8935008087251982515 21033648 29 18268407102000943608 21069387 34 16081086012905696571 21756936 100 17200218542445999144 22182313 1 18191023391653421175 22646028 28 16588021312164140000 22854114 59 18202281402947869002 23379529 103 12036605040683095273 23503953 91 18408612461040186689 23503958 8 15430042058327626073 23559900 14 18189058586124157006 2748010 2 17974852765660699183 296302 2 15841832257000497918 3472631 163 16414926227870542481 392239 28 17774445013489919115 394222 165 17389684186646194292 4280585 95 10885000674346051504 4340502 62 18272385140008263131 465052 167 17386019420064650763 474 4 17703787041819042664 5104073 3 18114474460636892801 58807428 26 18408321068673331642 633830 44 17704080602796911380 7064713 232 18341339928584216561 90316 7 18186518808821697173 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 441.01 8.88 1.98 1.61 2.34 0.53 -0.32 -0.35 -4.02 -0.16 0.37 -0.04 -0.49 0.35 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 940.116 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 244.8 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 3 2 4 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 12 1 -0.68 13 0.14 15 -0.28 17 -0.29 2 -0.68 20 0.14 22 0.28 41 0.15 53 0.4 54 0.4 7 0.28 8 0.14 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 8 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 5 3 4 7 11 12 rings 6 3 4 5 6 9 10 rings 6 5 6 8 13 15 17 rings 6 8 15 16 20 21 22 rings 22 7 7 0 0 0 0 0 1 1