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-0.0115 1.407 0.9719 -0.7412 1.6937 -0.4119 0.2458 -1.2834 -0.2322 1.4982 -2.3719 -2.3666 -2.3352 -1.3163 0.2895 -2.2184 -1.9667 -1.9498 0.1292 -1.4041 1.849 1.9207 2.2052 0.5815 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00003AAC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 79.7942 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 35.611 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10366900 7 18342168973109945505 10646746 165 18410576180122488460 10967382 1 18410295783029640234 11089746 13 17846774096948213025 11132069 177 18260270767684301871 11595378 159 16009019545571103325 12011746 2 18412267220827452254 12236239 1 12901554529085483351 12403259 226 18411133653950675712 12403259 415 18409725188050568108 12403260 363 18339076094113879764 12403814 3 17603587439653058509 12507557 5 18202281424486067856 12633257 1 18341886403270002512 13134695 92 17632290151893934048 13140716 1 18339078319134052522 13224815 77 18334857229549184423 13675066 3 18186808001812089691 14178342 30 18335991887074010017 14223421 5 18337955584454297311 14341114 176 18411143511016385354 14787075 74 18337110184498283626 14790565 3 17615135816149032524 14866123 147 16759738348408213818 15196674 1 18409451413875989451 15209289 33 18412546521949415282 15295992 7 18059010717364764552 15536298 74 18413112740352044646 15788980 27 17240482515766334813 16945 1 18191865617560322894 17349148 13 18040152941601758126 1813 80 16950281793814411414 18186145 218 18410009935686421767 19591789 44 18339080509361917802 19784866 9 18409450262898769826 200 152 18060414716535806973 21033648 29 18261938700484804260 21267235 1 18336838549333950042 21279426 13 18267023843537761214 21421861 104 17969501494113293266 22854114 111 18408608066998525007 23402539 116 18343297084893167245 23493267 7 17676196966351926793 23557571 272 18342183309995875879 23559900 14 18410856572973311732 26918003 58 18410011031098442857 2748010 2 18409451426871849567 296302 2 15985385590292133246 335352 9 18410294683444088366 34934 24 18410571748159448043 350125 39 18409732867911022756 351380 180 18343581849909823928 3545911 37 18408043992122257791 4214541 1 18408605863949295033 5104073 3 18409450318643473112 59755656 215 18336268946449891606 633830 44 18131066073466592764 69090 78 18341893017124219974 7364860 26 18270403767687591670 9709674 26 18410582772734296687 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 441.01 9.55 2.17 1.12 0.6 0.46 -0.32 -0.67 1.29 -0.02 0.29 -0.11 -0.31 0.51 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 935.957 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 244.2 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 7 1 -0.68 13 0.28 18 0.06 2 -0.57 20 0.06 21 0.45 54 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 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 6 7 12 13 16 rings 6 3 4 5 8 11 15 rings 6 3 4 6 7 9 10 rings 6 5 8 14 18 20 21 rings 22 8 8 0 0 0 0 0 1 3