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-1.3734 0.1362 0.8595 -0.8832 1.2585 -0.5821 1.1519 -1.5067 -0.0343 -2.1153 -2.0503 -2.2827 1.2154 -0.3052 2.3584 2.5831 2.107 -2.5364 -2.3537 -2.418 -0.1395 0.4222 -1.2697 -0.1181 0.5874 -1.0095 0.6995 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00006E2C00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 86.4801 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 35.612 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10062212 137 18335136531378172179 10411042 1 17114664575920439750 10759866 29 17896048813720895492 10967382 1 18410576149867897814 11132069 177 18334863805276028839 11370993 70 18410288086374288835 12011746 2 18411702072008978980 12403259 415 18334853909777257484 12403260 363 18268141148697975678 12403814 3 17749390382193280197 12553582 1 18337129898772848661 12633257 1 18341042000015394336 12788726 201 17768811214356131343 13140716 1 18337393862787682704 13224815 77 18411142441274051445 13675066 3 17894916230254167753 14178342 30 18340497715794357153 14223421 5 18266460901646493757 14341114 176 18410013209100328352 14341114 328 18202006550921836416 14787075 74 18201432627168334962 14790565 3 18338245984721968692 15163728 17 15050349804484816177 15196674 1 18410293626866386890 15209289 33 18343864445873037945 15209294 21 18131638871864147257 15309172 13 18411146844069262603 15375358 24 18335702711225874473 15536298 74 18271531905298554918 15788980 27 17603585239902166161 16945 1 18266178318652818151 17349148 13 18113900476690707508 1813 80 16950561061367861910 18186145 218 18341902874237376468 18222031 100 10737569478963099033 19591789 44 18338516468518295875 200 152 18272360989064149295 20600515 1 18271533090783797208 20715895 44 18116424848320387053 21033648 29 18263623148399313104 21267235 1 18336836371759150698 21421861 104 18043249033243846410 22182313 1 18043529417272483462 23184049 59 18334858316260299846 2334 1 18337679727511373431 23402539 116 18271798059973706188 23557571 272 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2012.11.26 256.1 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 14 0.14 15 -0.28 2 -0.57 21 0.06 22 -0.14 23 0.49 52 0.4 55 0.15 7 0.28 8 0.14 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 1.8 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 4 7 11 13 rings 6 3 4 5 6 9 10 rings 6 5 6 8 12 14 15 rings 6 8 15 17 21 22 23 rings 23 7 7 0 0 0 0 0 1 5