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0.5313 0.1626 0.0709 0.0298 0.023 -0.0587 -0.0658 -0.1067 -0.0447 -0.2375 -0.4347 1.279 1.5441 -0.3775 -1.8696 -1.021 0.125 -2.1118 -2.3935 -1.3718 -1.8082 0.6926 2.022 1.6645 0.3622 1.9312 1.2231 1.9269 0.9931 2.0944 -0.8385 0.7691 0.0742 0.0236 -0.1049 -0.0877 0.9033 -0.9142 -0.3042 -1.1337 0.6831 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 039C33F000000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 84.4711 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.751 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 17675924291662972127 10050765 1 18409729568870640290 10411042 1 17760644773132264602 10670039 82 16056606426032591187 10835480 77 18334011679833545123 10906281 52 17845661335915917619 11273773 42 18343298172005235463 11578821 258 18196934371821542473 1200032 147 18259987072299430450 12677640 9 18194122052234492999 12838862 33 18338501015769459248 12925494 130 18337389451845733346 13248334 5 18122343480421194490 13540713 5 18338215133814210482 13673619 4 11959731564113739778 13685833 64 10015863188858873150 14394314 77 18341336609124130001 14400156 260 18187362165418438864 14429380 56 18336251385029777477 14849402 71 18412546505640490945 14931854 50 18060426815538165072 15064981 194 18266470986245808678 15183329 4 15769780147451353026 15276724 80 18264765451350612557 15475509 35 15864908695750366562 15510800 12 11743835897684847812 1577012 14 18272931604964650415 16087824 20 18409450276707363788 18335252 114 18411132511853118782 20715895 44 18412263956641744826 21033648 144 18260542304391968519 21033648 29 18189325931143318528 21033650 10 15123247514947284266 21298829 104 18412829074937141065 21585482 111 18263925441299071565 22122407 14 18341059540609038505 23522609 53 17845664629965748457 23845131 108 18113899381285137570 255183 451 17769660802591677950 2838139 119 18408882911046760679 306946 40 17240755135786961845 335352 9 18410575077228835094 3472631 163 18343302573819602543 394071 54 18261116236154486293 397830 11 18041575680522521659 3986486 107 18271261482222101244 4073 2 18260270750431372699 4169191 19 18336262363056311141 44555599 121 18271246006980380729 5104073 3 18040154007150021291 5385378 56 18260825974049611210 5718773 13 9151168744746786801 5758199 1 18409167697158621327 58902169 19 18131341986513383823 5911458 16 18130791127504868785 6608658 132 17060064684126428865 9961470 85 18124871519783256232 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 568.1 23.36 3.74 1.02 8.13 0.38 -0.01 -19.6 -1.46 -3.27 0.73 1.91 -0.04 -1.73 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1182.141 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 328.9 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 94 110 53 162 113 179 14 182 133 150 142 65 36 58 193 181 164 183 192 143 73 39 32 50 146 115 28 191 86 24 148 163 70 166 25 188 117 54 154 195 174 144 52 139 33 101 157 49 18 123 42 114 119 171 85 21 122 159 184 35 56 38 82 61 134 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7 19 20 21 rings 6 22 23 24 25 26 27 rings 6 5 9 10 11 12 13 rings 29 1 0 1 0 0 0 0 1 2