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-0.9796 -0.8392 1.0389 -3.098 -2.22 0.0587 0.0591 1.9169 1.4279 -0.2799 1.3593 0.6821 2.3214 1.9828 -0.6377 1.8143 1.4531 -0.5735 -1.4507 3.4053 2.5453 0.5203 0.1629 1.946 2.6047 0.1746 -0.108 -3.3115 0.4715 0.5304 1.472 -4.1637 -2.6244 -0.3008 2.9828 2.112 -1.2848 1.6751 0.4189 3.3357 2.7323 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 035F77CE00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 83.7549 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 61.004 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10006869 2 17986951839041989377 10162869 55 18339090397843365603 10675989 125 17185022874780130165 11578080 2 18049725122541149593 11582403 64 15651518712962145404 12422481 6 18114463349039292426 12633257 1 18341608282625755120 12788726 201 18337401512568042016 13140716 1 18338800142433463294 14081887 123 18341334383860708017 144659 39 17460297864023609525 14787075 74 18131060532906078949 14840074 17 18114191877437144164 14955137 171 18121530039447633891 15131766 46 15552743279065041392 15163728 17 13973147365945995563 15297060 5 17839506294474846383 17974551 9 17414148341432514497 17980427 23 16988290879962957953 20587220 17 17766275368136112205 20587220 46 13628094302112287329 20600515 1 18340216304878230844 20775438 99 10956882543859227017 21033648 29 18201734950344036555 21304303 282 16083869830651076461 21330990 113 18411694383363683705 3493558 16 17344064340638480146 350125 39 18267030462251494070 392239 28 18343865506672126344 394222 165 16953694784780187350 469060 322 18408315592626614548 5171179 24 17905885873229335375 77296 10 16661755579898918328 9981440 41 17763136368936462586 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 652.44 10.05 4.1 2.51 7.85 0.92 0.44 -0.36 -7.23 -2.19 0.19 -0.18 -1.42 0.41 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1447.852 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 347 Conformer RMSD 7 2012.01.18 1 Diverse Conformer ID List 6 2012.02.08 1 21 39 14 17 5 29 47 37 49 11 15 28 8 32 48 44 36 25 30 41 26 23 42 35 33 19 13 12 38 20 40 27 34 45 4 46 31 9 22 24 10 7 18 50 3 43 6 2 16 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 42 1 -0.57 12 0.72 13 -0.09 14 -0.05 15 -0.07 16 -0.24 17 0.05 19 -0.15 2 -0.57 20 0.57 22 -0.15 23 -0.15 24 -0.15 25 0.09 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.73 30 -0.15 31 -0.15 32 -0.15 33 -0.15 4 0.03 45 0.37 46 0.27 47 0.15 48 0.4 49 0.4 5 -0.88 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 0.3 60 0.15 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 cation 1 4 donor 1 5 cation 1 5 donor 5 4 13 14 15 16 rings 6 17 18 19 21 23 24 rings 6 18 21 22 26 27 28 rings 6 25 29 30 31 32 33 rings 6 6 7 8 9 10 11 rings 33 0 0 0 0 0 0 0 1 21