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-1.5478 1.9012 2.1859 1.9276 2.35 2.3822 2.4078 -0.0724 1.302 -0.2881 -0.6841 -0.8167 -0.0631 -1.7617 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000393D600000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 72.3497 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 35.615 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10366900 7 17203615904077778354 10411042 1 17040633886796925411 10498660 4 18410014308179712116 10646746 165 18408322176837515221 10967382 1 18411420604963066566 11315181 36 17846224367188549640 11370993 70 18411976970784325223 12011746 2 18342745117693413294 12236239 1 17704358762222172185 12403259 226 18340484594817142745 12403259 415 18343299284096186649 12500047 106 18411979195724928134 12592029 89 18334011675243426027 12633257 1 14851890287395228060 12670546 56 16515675615825169909 13224815 77 17989489623368574530 13533116 47 17775288235686756774 14790565 3 17691974761265288361 15099037 51 18410013229963260999 15196674 1 18410575058898582534 15375358 24 18410013247586189716 15420108 30 16257590262420290400 15536298 74 18343863311954283278 1601671 61 18334294253947629644 16752209 62 18339072795674299347 16945 1 18196368345399107002 17349148 13 17847065471328278891 18186145 218 18272938202192536315 19862831 5 18131070411330424271 200 152 17632859724343858763 20645477 70 18202006486866495014 21033648 29 18341041978007892537 21267235 1 18411992355267716599 21279426 13 18267305335198280654 21421861 104 17604978231594224226 21521239 73 18130772440027993175 221357 26 18341889693457732573 221490 88 18337961215109105435 22393880 68 18339638941225735983 23227448 37 18412543249596065607 23402539 116 18342171142036716693 23402655 69 18271806795879228901 23559900 14 18343301444854645604 2748010 2 18341060669689610078 2838139 119 16444721915120197253 296302 2 18041000652429726408 3004659 81 18261676978937959046 3286 77 17418090971613796786 335352 9 18265896860771503014 34934 24 18408320004222321304 350125 39 18410580600139805665 3545911 37 18341615944752393956 4028521 119 18341896285620504551 4214541 1 18409730642869809917 474 4 17386010606148194060 495365 180 17417518203381032506 5104073 3 18410293583985143651 5283173 99 18336825286433008429 542803 24 17458068161578895556 59755656 215 18335135355068492047 6138700 20 18266180518114475710 633830 44 17675927585960845410 69090 78 18342455962951472575 9709674 26 18338518671841786931 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 441.01 10.2 2.27 1.03 0.7 0.31 0.49 -2.26 -2.26 0.47 -0.27 -0.13 -0.16 0.65 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 943.338 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 243.3 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 11 1 -0.68 12 0.28 18 -0.29 19 0.06 2 -0.57 20 -0.12 21 0.49 22 0.14 46 0.15 49 0.4 7 0.14 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 1.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 7 1 1 acceptor 1 1 donor 1 2 acceptor 5 3 5 12 13 15 rings 6 3 4 5 6 8 9 rings 6 4 6 7 10 11 14 rings 6 7 10 18 19 20 21 rings 22 7 7 0 0 0 0 0 1 2