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Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 0431894C00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 98.6443 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 101.739 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10673678 19 18272371957888864235 10835480 77 18337391535827933765 10864689 126 18338522923822175341 11007060 377 18410296947831467523 11456790 92 18260827090730189066 12422481 6 18187368786906860733 12925494 130 18410289237472964744 13811026 1 18411700993713822157 14117953 113 18411141312241504836 14556957 393 16558480707696672649 14725015 67 18411132499148013112 14739800 52 18260542291063961467 14790565 3 18410297995512940535 15274700 259 17387391473696890533 15289351 153 18271521975787736954 15351339 4 18200308823564970425 15419008 145 18188480290727262712 16067689 134 17767704766878879353 18335252 114 18341331076746498478 19053607 189 18123466357161340168 19611394 137 17896618352560363875 20715895 44 18413390943043444408 20737093 193 13823033422722702083 21033648 29 18409444817513065550 21859007 373 18408319965135268308 23559900 14 18050570643126025823 24893992 56 18409166606078620787 249057 3 18343588421896063630 2747138 104 18043264633325214443 2838139 119 18412543244979409607 34797466 226 17988370269830791279 4066623 53 16415473827578823304 4760202 170 18341603773396352589 5104073 3 18113622240394100075 99344 41 18410291406373426668 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 682.17 21.97 4.22 1.14 0.47 0.53 -0.2 15.18 -0.18 0.1 -0.29 -1.4 0.18 2.34 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1460.987 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 371.2 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 28 42 149 71 58 30 139 17 88 32 141 105 104 33 109 119 27 138 77 94 81 61 143 122 117 97 46 75 35 82 4 7 22 130 133 113 132 64 114 49 60 134 126 100 45 18 106 57 79 121 80 115 66 40 110 145 5 146 26 142 93 78 87 2 31 83 72 48 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24 rings 6 19 24 25 27 28 30 rings 6 5 31 32 33 34 35 rings 36 12 11 1 0 0 0 0 1 24