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-0.9059 -1.6538 0.6451 0.1429 -0.6552 1.851 0.1829 0.8918 -0.8764 -1.7194 0.3474 -0.9369 0.7092 -0.6596 0.967 0.009 -1.6035 0.3534 1.2723 0.4587 1.5336 -1.0348 -0.1647 1.9765 1.1545 -0.1449 -1.1867 0.7246 0.0584 -1.5655 -1.361 0.6233 1.6987 -2.3009 -2.0536 -1.7251 -0.9086 -1.4541 -0.7808 1.9725 1.6607 2.8042 1.1922 -0.1225 -0.5 1.9531 0.4742 0.8185 -0.1575 -0.8003 -1.8786 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 028A700300000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 20.0843 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 25.376 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10299344 5 14201396079803753488 10429389 143 14764344942593614122 10674148 151 17894345580342296096 10883706 142 17203615895915358227 10917259 128 16127540241830529275 11089746 13 17703789253811582865 12107183 9 18413108381371448994 12373685 5 16200145478811305246 12596602 18 15792017826944530973 13673619 4 15213017176182388414 13914758 101 17417816131923747306 14123256 10 8862943879439022946 14251764 18 18202002135874537782 14347424 109 18202278126906122576 14428016 545 18411417302512855154 14429380 56 11455883651411071402 14617045 38 15213014960232491000 14767858 380 9223231845122809282 15142383 8 18408884036565711916 15183329 4 17988936573610240948 15461852 350 16271924960372868252 20281389 69 18410575128019369113 20554085 129 15913325767351477350 21049683 271 8934992676910110591 21095086 128 15068621599703767688 21150785 3 12391513091892703558 21196832 93 11095586932209915509 21403212 168 18413105048049962246 21591340 7 18201999933083907003 21774942 28 16701471069407322345 22224240 67 13398628355883602372 22896161 15 8790887388980869190 246663 6 15936410044151428290 2767999 5 18272934942882317529 2838139 119 18201718466607661569 28498 318 18411699864390682854 3009799 131 15052017865933324618 34797466 226 13262397744426831418 4325135 7 7925914781591737938 445580 204 17060068012726011417 5207 217 10952051160616936468 5385378 56 18272095954584665119 559249 180 18271241724317997591 59755656 520 18343015619087140295 6394761 36 18202003222759616180 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 411.59 26.27 2.13 1.23 9.52 0.66 -0.1 -3.76 -8.96 -0.39 0.87 -1.38 -0.32 -0.47 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 748.533 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 265.1 Conformer RMSD 7 2009.12.11 1.4 Diverse Conformer ID List 6 2012.02.08 1 94 92 10 26 109 6 52 105 60 43 108 98 65 3 31 40 102 63 81 4 76 34 21 11 54 111 35 42 79 50 64 78 16 57 74 61 2 104 87 25 110 38 113 68 84 88 93 101 67 24 66 97 114 106 29 7 100 71 75 49 96 72 36 12 15 82 69 33 112 28 95 39 22 83 8 46 45 70 14 23 51 99 56 107 90 48 89 55 73 30 103 17 62 5 86 41 85 58 13 47 32 115 91 80 53 44 18 77 37 20 27 59 9 19 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 0 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 13 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 5 1 12 hydrophobe 1 13 hydrophobe 1 17 hydrophobe 1 20 hydrophobe 3 15 18 19 hydrophobe 20 3 3 0 0 0 0 0 1 1