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-0.6801 1.0314 -0.5369 -0.0856 -0.5874 0.2813 1.6277 -0.1567 2.9669 2.5363 0.7516 -0.5636 -0.8792 2.0982 0.6679 -1.1361 -0.1241 -0.94 -0.8984 -0.4601 -0.65 0.9909 1.6263 -0.6241 1.9923 -1.2026 3.3857 2.9624 3.5925 3.585 0.4106 -0.5448 0.3218 -1.4963 0.0845 -0.9859 -1.6798 2.8054 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 035F7A3800000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 125.1296 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.999 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10074138 170 18123438774569836970 10162869 55 18341604920647888693 1100329 8 18339636862366482692 11445158 3 18040434420973943357 11646440 116 18202284684308671528 11719270 70 18337949000607016759 12035758 1 18412821395809539576 12788726 201 16678095821758389228 12839892 36 18265318535003979618 13140716 1 18268708483950312093 13540713 4 17904201434726940693 13540713 5 18053376879813654469 13692114 37 18340479088928149187 13726171 33 18052557744220907052 14020679 6 17967810595706629538 14028597 1 17560521677463288099 14466204 15 18338509738220406801 14790565 3 18195261116285065957 14863182 85 18337962173082056710 14955137 171 18336267860039358836 15420108 30 17547888551058959283 15815584 197 18197786505008818703 15927050 60 17976827811073485228 15968369 26 18117282458604796143 16112460 7 18198346341216393289 16728300 4 17534879928321828010 16994733 274 15554156013155631162 17913733 40 18272376334877517627 19611394 137 18113912562496668154 20028762 73 18201147849826478791 20600515 1 18343294899536126484 21033648 29 18058709386849248800 21781051 124 18188790365807041410 21814621 53 15769232595456705295 22149856 69 18195549029923811561 22223350 30 18128244786853993466 22311459 1 18339074900820418773 22956985 138 17759518872544647418 23558518 356 17975401731649107334 23559900 14 18272656800742473268 3178227 256 18337402599057520721 392239 28 17846204553808490801 465052 167 17894634738218985296 469060 322 18268720419501560672 5104073 3 18269840985723081577 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 675.11 12.2 6.24 1.65 7.85 6.13 1.61 -3.04 9.39 -1.64 -3 0.1 0.1 -0.11 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1500.052 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 365.7 Conformer RMSD 7 2012.01.18 1 Diverse Conformer ID List 6 2012.02.08 1 8 20 24 3 19 13 22 11 14 6 5 12 9 7 4 17 10 16 21 23 2 18 15 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 42 1 -0.57 10 0.09 11 -0.14 12 -0.15 13 0.44 15 -0.15 16 0.54 17 0.09 18 -0.15 19 0.3 2 -0.56 20 -0.15 21 -0.15 22 0.49 23 0.28 24 0.08 25 0.63 26 -0.15 27 0.09 28 -0.15 29 -0.15 3 -0.36 30 0.28 31 -0.15 32 -0.15 33 0.28 34 0.28 35 -0.15 38 0.15 4 -0.43 41 0.15 42 0.15 45 0.15 46 0.15 47 0.15 5 -0.57 51 0.15 52 0.15 59 0.15 6 -0.57 7 -0.66 8 0.29 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 8.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 5 acceptor 1 6 acceptor 5 7 10 11 13 16 rings 5 8 9 12 14 15 rings 6 14 15 20 21 24 26 rings 6 27 28 29 31 32 35 rings 6 9 10 11 12 17 18 rings 35 0 0 0 0 0 0 0 1 1