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-0.9363 -0.445 2.9853 2.5166 0.0716 -1.1314 -2.3763 -1.228 -0.074 -2.6799 -1.9625 1.5195 -1.8184 -0.8369 1.7783 -1.5411 -3.1871 -3.0884 -1.613 -0.3024 -0.4615 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0050FBDE00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 107.3353 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.837 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 105312 117 18270409416086004902 10556698 54 17832708976195914469 10928967 22 15553010288581525063 11112241 14 18335423422709745413 11387372 6 8934184553332785711 11621639 254 17910669092422707085 12422481 6 12829481511635665201 1361 2 18341602707922144805 14068700 686 18189893124171930005 14202776 33 17759254272973977980 14647877 103 17822580516432440364 14950920 106 13984957271679383209 15064981 113 17774725368118124862 15082195 135 18200865176437815023 15131766 46 18130230350979460553 15198563 99 17766832102295709439 15324884 4 18045251329881389719 15530120 55 17630873933662767221 15728490 83 9582703994881144852 15803439 3 17703789253927849534 16120349 189 18261387892741143020 161222 619 17967811622267422421 1768 210 18411699889865516245 17899979 129 18270121188935921565 19304152 47 17899426565107475770 19309040 13 17916043273763850729 21033648 144 18334297556840692573 21033648 29 17822014207017429916 21968339 14 18197770003744479814 23522609 53 17416693432844226841 24893989 43 15044064102746399293 2838139 119 18337953385378300709 3388396 114 17988926639040546024 3418910 222 16822780548821256404 376196 1 18335987484347786763 3862424 121 14475815598259210925 4112364 45 17604137134741721641 4371632 12 18336831879882411049 437795 150 8284830600410923000 44317340 157 18123755258399294477 5047190 19 9582703995645990096 5372103 7 18041824152638636333 5486654 36 8790616900536218231 58902169 19 17342943642290317727 6327066 14 18336541702906696668 6371009 1 18198898120197209088 6677587 24 17903598970942469799 7918774 8 12103553200281644005 9982175 41 17604430824552492056 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 634.83 15.63 5.65 2.21 4.07 3.03 -0.26 -27.27 6.5 3.24 1.7 -3.25 0.35 2.63 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1403.845 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 340.8 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2012.02.08 1 13 23 12 17 6 19 18 10 15 16 5 20 26 11 8 2 9 21 24 4 22 14 3 25 7 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 43 1 -0.57 10 0.3 11 0.3 12 0.3 13 0.09 14 0.54 15 0.09 16 -0.14 17 0.44 18 0.54 19 0.71 2 -0.57 20 -0.15 21 -0.15 22 0.12 23 -0.15 24 0.05 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 0.08 31 -0.15 32 -0.01 33 0.28 4 -0.28 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.36 50 0.15 51 0.15 52 0.15 53 0.15 6 -0.66 7 -0.66 8 -0.48 9 0.3 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 7.6 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 4 acceptor 1 5 acceptor 5 4 24 27 31 32 rings 5 8 13 16 17 18 rings 6 13 15 16 20 21 23 rings 6 22 25 26 28 29 30 rings 6 6 7 9 10 11 12 rings 33 0 0 0 0 0 0 0 1 1