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2.8398 -0.6645 0.9365 1.6345 -2.3268 0.8863 -3.0743 -0.8098 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 018137F000000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 128.1656 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 121.93 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10119406 146 18413105065968147511 10391435 84 18201430369202363298 10940486 97 18260267430073597380 11135609 127 8539826540171574730 11387372 6 18411135857511199909 117089 54 18339364196510659918 12342043 65 18128812122032470256 12655364 131 14692302685704721468 13690498 29 18337105760644766068 13782708 43 17916302912630657270 14444916 359 18339930303512671473 15230672 131 18264765468065946034 15510800 12 17489319547275725158 15530120 55 17896060857173301660 15705408 1 17458907166677954996 20105231 36 18260276226630278209 21307412 95 18270405988834231364 21772528 278 16660655007287321744 21814621 53 17917702522498605560 24771750 20 17543901314144198077 32027 91 18131631193143370424 4435113 14 18272660060627568390 44880168 125 17845369019519157479 513202 73 18270399528465303799 5265222 85 18337387154080901993 563151 40 18187085018343995234 58902169 19 17603876564251327812 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 761.59 22.13 7.34 1.67 50.72 3.11 -0.13 15.46 8.86 -13.8 1.07 1.48 0.27 4.19 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1621.281 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 418.8 Conformer RMSD 7 2009.12.11 1.2 Diverse Conformer ID List 6 2012.02.08 1 173 165 174 128 192 40 145 91 123 203 183 38 106 186 101 146 169 77 73 27 114 159 55 190 135 29 76 51 75 127 87 188 202 151 74 189 53 153 36 21 175 197 131 110 195 142 149 162 107 83 140 71 44 108 130 167 160 115 42 112 191 98 68 196 164 30 150 96 14 157 179 137 121 199 120 6 154 163 10 148 97 65 80 49 117 100 24 37 95 72 67 156 66 161 147 63 25 86 132 50 35 113 64 194 104 129 13 59 58 43 144 168 62 18 90 61 89 158 182 41 102 177 126 200 105 116 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14 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 4 donor 1 5 acceptor 1 6 acceptor 1 6 donor 1 7 acceptor 1 7 donor 1 8 acceptor 1 8 donor 1 9 acceptor 1 9 donor 6 2 15 16 17 20 21 rings 6 27 28 29 30 31 32 rings 6 3 18 19 22 23 24 rings 6 36 37 38 39 40 41 rings 41 10 9 1 0 0 0 0 1 24