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-1.5812 -2.7413 0.1363 1.8784 1.6212 0.7057 -1.7242 -0.2604 -1.0717 -0.6566 -0.1008 -0.6675 2.331 1.3875 1.7189 2.3479 -0.7191 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 03436C7700000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 129.6427 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 76.269 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10165383 225 15983993698633807087 1100329 8 15605998751420981589 11421498 54 17751954425581161541 11578080 2 17749940073087242013 11595378 159 18413392055455752801 12160290 23 16269639101484331196 12363563 72 14779260912703231005 12422481 6 17703782579928257506 12553582 1 18339917242327109653 12633257 1 18198060283673036523 12892183 10 18334017172811919081 13140716 1 18057619663552289885 13224815 77 18113338609105909729 13583140 156 18338499902935196541 13726171 33 17984173420472707712 13782708 43 15337724970273220502 14223421 5 18340491075637702709 14341114 328 18337394953836378992 14787075 74 18121501516463910676 14790565 3 18055363692983254668 14955137 171 17916597569089482712 15484559 13 10821825162690898345 17349148 13 16950569912536167064 17809404 112 15430021172023011195 17974551 9 17764846036154862723 1813 80 16732989700009807663 18981168 100 15338823313712251342 20764821 26 17170144609644339323 20775530 9 17171517676081361635 21033648 29 16056881346862795291 21421861 104 18334865991229727553 21756936 100 18057874935197421000 23419403 2 13718659442366812316 23559900 14 18126586530309464525 238 59 12036032169285900731 25222932 49 18194125337926990547 3797600 57 18201999975416323888 392239 28 18263640839173653834 44802255 64 8930430812743047598 460360 51 18262235517727910821 495365 180 16127816232402637541 6287921 2 18187363190691568290 6823239 73 17845116028754225157 7097593 13 18408882897924598865 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 624.08 9.27 3.45 2.35 3.19 0.68 -0.6 -1.21 5.28 -0.24 0.99 -0.84 0.63 -1.56 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1376.496 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 332.7 Conformer RMSD 7 2011.09.13 0.8 Diverse Conformer ID List 6 2011.09.13 1 3 4 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 42 1 -0.18 10 -0.81 11 -0.8 13 0.48 14 0.28 15 0.33 16 0.28 17 -0.12 18 0.49 19 -0.06 2 -0.68 20 0.49 21 -0.17 22 0.03 23 -0.18 24 0.03 25 0.03 26 0.27 27 0.27 28 -0.3 29 0.62 3 -0.68 30 0.18 31 0.08 32 -0.15 33 -0.15 38 0.4 39 0.4 4 -0.53 46 0.15 47 0.15 48 0.45 49 0.15 5 -0.57 50 0.15 51 0.37 52 0.37 53 0.45 6 -0.57 7 -0.85 8 -0.57 9 -0.53 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 2.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 15 1 10 cation 1 11 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 donor 1 5 acceptor 1 6 acceptor 1 8 acceptor 1 9 donor 6 12 13 14 16 17 18 rings 6 12 13 15 19 20 22 rings 6 16 17 21 23 24 25 rings 6 24 25 30 31 32 33 rings 33 5 5 0 0 0 0 0 1 60