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60 61 62 63 6.8026 7.3917 7.5866 8.2984 -4.3152 -6.0885 3.2507 0.0532 2.678 1.3276 2.4115 0.2637 1.2915 -1.0118 3.7283 -2.3297 -2.7375 -4.1224 4.9849 3.4272 5.9424 -4.1754 -4.6564 4.3849 5.6424 7.278 -3.8632 -3.7568 -4.5332 -6.0196 -3.9109 -4.2446 -4.581 -6.5074 -4.2699 -5.6199 1.4624 0.9241 2.1481 3.3109 0.5405 -0.6346 1.1142 1.6193 -1.1475 -0.7645 -3.1022 -2.2973 -2.7519 -1.9739 2.6697 -4.8208 5.2219 2.4698 4.1367 -3.5539 -2.6824 -4.7824 -6.7176 -3.6629 -3.5544 -4.8614 -7.5782 1.2013 0.7042 2.1938 0.167 -4.0043 4.8606 -2.1103 -0.6336 -0.919 -1.3031 0.103 -1.7058 -0.3282 -0.9947 -0.381 -1.1945 0.0819 -0.0442 -0.0027 -0.2698 0.4877 -1.1176 1.2874 0.2207 0.5995 0.8822 -0.7713 2.2497 -2.4013 1.4822 -1.754 3.4669 -3.384 2.6996 -3.0604 3.692 -2.1458 -0.4583 1.0758 0.2579 -2.6472 -1.9042 0.4978 -1.1868 -0.1944 -1.9077 -1.4165 -2.0724 0.9203 0.3005 -2.4437 -0.3422 -0.1032 -0.5576 0.3001 0.2238 2.1109 -2.6635 0.7147 -1.5043 4.2385 -4.401 2.8749 3.021 -1.3551 0.2093 0.547 3.0174 0.9486 -1.4138 -2.2156 -0.8543 -0.2091 -1.9834 -1.237 -2.9391 -3.1509 0.119 -2.4029 -1.6526 -0.9665 -0.3518 1.4757 0.536 0.1133 -0.4473 2.3635 1.8936 -0.0068 1.4112 -0.0428 -0.2415 -0.4 2.3999 0.4326 0.7474 0.0753 2.068 0.4916 0.4814 0.3654 -1.5459 -2.5917 -1.7277 -0.6455 -3.6392 -3.5391 -3.8895 -3.7075 -3.1512 -1.7547 -2.3616 -0.8972 -2.1159 -1.7645 -1.4073 1.895 3.4189 1.7077 -0.0555 -1.2652 -0.7205 3.4274 0.7608 0.4896 0.122 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000835E00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 89.841 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 35.522 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10074138 170 18188787080609961235 10319688 67 18334865970778374921 10670039 82 13326855530439874007 10864689 126 17560512898888173576 10930396 42 18341057410848799507 11007060 377 17703215334295884566 11621639 183 18340209587534289604 12218070 45 17458625691690447042 12633257 1 17458633285250025175 12788726 201 17754776928935420071 12988421 55 18043244636205215485 13103583 49 17530965786901095279 13560911 23 18260544562985642181 13782708 43 14057540338719277808 13911987 19 16200424750786089173 14068700 675 17678741365910108903 14395042 24 17458641047131856659 14705955 166 18411146831685430275 14844126 61 15936953164383392799 14904525 67 18270954769733657064 14950920 106 18040997409708449205 15444296 121 18408887334404938629 15513586 35 18116429443455632237 16067690 210 18268695144045927881 17809404 112 18131359574884196415 19304152 47 18272369810373490191 19315092 285 17461167818339322215 19438510 23 18200030617485022097 21033648 29 18412829074963352591 21458453 9 18341326790580705200 21792965 106 16987996056217140992 21814621 53 18341059523529772462 312425 54 18113898221806919090 3383291 50 18334020480712100099 3418910 222 17122518331753202244 376196 1 17624978236640217133 4073 2 18408608037097537610 4756326 101 16662881429253468957 4938544 92 18411700993692723391 6289498 60 17344040101003793760 6691757 9 18040716962014957491 9555976 147 18113907086618898641 9981440 41 18271532975610731231 9982175 41 18411139126102819525 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 695.51 21.88 4.07 3.03 31.23 2.41 0.23 14.74 9.47 -11.91 2.28 0.84 -2.03 3.33 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1494.569 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 386.4 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2012.02.08 1 4 187 189 44 46 196 150 180 147 170 131 74 115 32 107 66 41 48 178 203 49 145 216 181 29 93 215 55 169 85 51 116 184 142 144 118 135 186 202 75 205 197 58 123 201 108 114 92 76 125 64 31 154 42 112 134 162 54 36 88 124 95 149 192 100 179 82 63 163 16 148 57 129 56 191 38 207 213 59 176 65 43 158 40 206 69 2 15 219 140 62 198 39 121 193 210 133 80 68 159 102 77 199 90 128 110 218 81 172 17 94 9 212 141 157 30 167 113 195 146 151 185 99 103 97 23 61 83 3 21 165 60 19 14 168 211 130 13 182 7 119 5 105 106 104 33 127 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