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0.8118 -0.4773 -2.4304 -1.4108 -3.3382 4.3291 2.794 -0.5794 -1.3756 1.5618 1.0977 1.5015 0.015 1.2218 -2.3934 3.0119 -3.6344 1.031 -4.1964 -4.5592 -4.4255 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000297D00000003 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 143.3033 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 132.122 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10032420 55 18337380552732031701 10622 236 18122905331146447926 10771551 21 18334857160840361326 10985338 1 16256934326710818853 11170278 133 18042103432986980135 11285246 1 18411419526879049437 11513181 2 17910970040929246246 12124843 1 18408323254827029886 12156800 1 16048105233996799667 12355185 1 18343016718181718455 14040221 126 16833710720650810055 14931854 50 18334579010189443726 15001296 14 17913462874591809463 15274700 21 17750243659542301875 15351339 4 18336543815861450442 16067689 391 18054533326040207078 17138139 8 18340484470115547516 20764821 26 18336552723565600242 20775438 99 17913465098773302391 21133410 62 17968107369942085937 21344244 181 18267861873467389071 238918 7 17333077032801155112 3298306 158 18042105687860153441 3383291 50 18412267250665993378 3534868 343 17834370351994501463 437795 51 18260834808971003091 4403749 210 17118021367471496904 44344687 77 18341895242982779271 44802255 64 16661226813911907270 45266715 3 18125979793275593429 50080093 196 17543077775175672690 50150288 127 17770240266192588569 508706 21 17753334458676534426 66674814 147 18261402096519841372 6669772 16 18124010572186925281 86090 222 18189606310750433585 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 796.88 12.97 7.04 3.29 3.61 1.97 -0.51 1.96 -17.16 -1.81 6.01 1.81 0.23 -0.37 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1720.27 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 432.9 Conformer RMSD 7 2009.12.11 1.2 Diverse Conformer ID List 6 2012.02.08 3 277 121 225 143 205 174 76 141 310 130 196 117 108 155 210 297 222 61 188 319 315 208 18 274 197 44 257 298 183 312 35 41 215 323 58 51 262 209 303 1 301 325 128 68 320 284 299 203 66 90 177 329 231 214 175 317 240 99 94 247 280 296 179 167 62 311 271 273 161 202 154 324 229 107 224 103 260 204 264 156 145 110 237 321 232 199 314 118 180 218 67 97 45 223 102 191 255 112 95 241 57 305 253 322 250 116 168 198 83 242 23 72 328 287 220 300 70 73 137 290 178 125 318 195 129 278 10 152 270 227 252 233 279 219 187 138 254 256 115 151 56 245 316 158 149 162 283 81 281 221 105 60 201 212 181 309 39 169 234 59 131 291 93 249 78 120 192 261 139 82 236 272 166 165 92 96 148 326 217 306 86 74 4 244 294 164 295 87 119 190 171 134 258 263 182 235 55 142 200 157 114 216 228 127 144 71 84 101 113 146 122 248 80 226 259 308 288 193 163 43 194 238 211 25 38 292 124 268 159 33 29 176 207 251 13 111 172 53 327 330 170 65 2 275 89 246 46 293 304 265 285 313 52 104 135 20 269 160 28 150 189 266 15 91 40 109 206 185 173 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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 1 16 17 18 19 24 rings 6 11 30 32 33 34 36 rings 6 28 29 30 31 33 35 rings 6 3 20 21 22 23 26 rings 6 37 38 39 40 41 42 rings 43 11 11 0 0 0 0 0 1 25