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1.0353 -1.7121 -0.0445 1.4083 -1.5625 -0.139 0.4996 -1.2115 -0.2877 1.1643 2.0196 2.1272 2.2824 1.7874 2.1102 2.0328 0.8424 -0.7821 -1.6562 0.7358 0.8214 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0003B29C00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 74.8787 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 40.687 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10366900 7 17676483969183487113 10967382 1 18411698794162974452 11132069 177 18341044194500764456 11471102 20 18411980282378053876 12011746 2 18408599258389814381 12236239 1 17967249780684100390 12403259 226 18341324595999784841 12403259 415 18131342012657551617 12788726 201 18195242226539149337 13140716 1 18124601039520837763 13221675 6 18408322206854806954 13224815 77 18186799179706527745 13288520 33 18343303660482874588 13862211 1 18411416207291108382 14790565 3 17476366002308835585 15099037 51 18411417297975197541 15196674 1 18411418384311831461 15309172 13 18271814527184507763 15375358 24 18412544301672966750 15536298 74 18343016722508424648 15788980 27 18409450280373836446 15848702 151 17774731874112629278 1601671 61 18411136900977554540 16752209 62 18339070506593763681 16945 1 18266463302533393941 17349148 13 17704070707318654063 17804303 29 18413389847536984325 18186145 218 17822005393902677101 19591789 44 18338796715081514982 19862831 5 18334013878202646900 200 152 18060136535466741885 20645477 70 18410289250310523732 21029758 11 18343581832630072273 21033648 29 17560785620319796473 21267235 1 18411707598883094910 21279426 13 18266741268505824662 21452121 103 18200581614534286128 221357 26 18412258437482389757 221490 88 18264775534983614306 23402539 116 18342171151032755180 23493267 7 18113620075271127059 23557571 272 18273221876498418756 23559900 14 18272361001332379336 2748010 2 18410005524939917349 3004659 81 18261676961842687318 335352 9 18411699855051844300 34934 24 18410288108334428542 350125 39 18411984646466194817 3545911 37 18411700997460195743 4214541 1 18411699872411002725 4340502 62 16443636704916033689 474 4 17458914854795241444 4921388 177 16298400088273754785 5104073 3 18411136909356181576 542803 24 14201397170635671974 633830 44 17749669692400893956 69090 78 18343017808955828647 7364860 26 18199464535967997160 9709674 26 18336546139750026051 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 420.43 9.77 2.1 0.97 2.3 0.45 0.41 -0.83 -1.3 -0.27 -0.09 -0.13 -0.21 0.21 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 890.168 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 233.3 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.68 13 0.28 2 -0.68 21 0.28 52 0.4 53 0.4 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 2.2 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 5 7 12 13 16 rings 6 3 4 5 7 9 10 rings 6 3 4 6 8 11 14 rings 6 6 8 15 17 20 21 rings 21 8 8 0 0 0 0 0 1 1