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43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 5.9915 0.0043 -2.548 -5.0351 -2.8229 0.2683 -1.808 -2.5776 -3.7053 -3.5356 -1.2344 -0.2527 -2.2586 1.4958 -0.3684 2.6961 -1.5876 3.1699 3.3136 -1.4954 -2.8355 4.4508 -2.6511 -3.9912 -3.899 5.7563 4.2232 6.8343 5.3012 6.6067 -1.2357 -6.27 -0.9941 -3.0106 -1.932 -4.6735 -3.6568 -2.9441 -4.5017 -2.048 -0.713 0.578 -0.7169 -1.7816 -3.0515 -1.5183 1.5068 1.4939 2.4474 4.1415 3.2714 2.9636 -0.4974 -2.9206 -4.9252 3.2112 7.8507 5.1241 7.446 -1.3416 -0.7584 -0.6193 -7.0666 -6.3236 -6.4631 1.3375 -1.4227 -3.4958 -2.545 3.9193 0.3868 2.9173 1.972 2.8135 4.1926 2.1848 1.0873 5.1366 0.9261 -0.7619 0.2921 -1.2306 -0.992 0.767 -2.1516 -0.7535 0.1425 -2.5957 -1.1974 -2.1185 0.4601 -0.7723 -0.1368 -1.3693 -1.0515 -3.9331 -2.008 3.3841 1.1212 1.575 2.3807 2.8519 4.8267 4.6767 1.7837 2.9008 1.5298 0.3833 4.9337 5.8676 5.6032 2.016 0.7181 -1.7934 -1.343 -0.861 1.689 -2.4849 -0.0466 -0.7856 -1.0301 0.1106 -2.0817 -1.5164 -4.644 -4.4736 -3.1065 -2.4545 -0.9248 -2.2918 0.8859 2.8549 -1.4952 -0.696 -0.2379 1.3648 -0.5918 -1.5166 -2.1041 -1.4884 0.6146 0.2238 0.3324 1.9604 1.8861 1.3076 1.2083 1.9396 0.208 0.1648 1.6092 -0.4755 -0.4778 0.9665 -0.0769 -0.1007 -1.5036 -0.7544 -2.1572 -1.7826 -1.8429 -0.2253 -1.1648 -0.9789 -2.3075 -1.8257 -3.197 -2.1615 -1.3143 1.2257 1.2622 -0.3372 -0.4701 1.2964 0.5264 -0.3274 1.8451 3.0363 1.7571 1.583 3.0226 -0.2497 -0.1011 2.4304 1.3326 -1.8068 -0.4626 -2.9577 -2.2915 -2.669 -1.0184 -2.2127 -0.8296 -0.3792 0.8149 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 038511880000000A Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 102.207 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 40.601 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10049733 16 18340484479354621181 105312 117 18190469246678758132 11069576 57 16616713360413021367 12107698 1 18261675965072313940 12788726 201 18187638124443143187 12954195 1 18335983082127328609 13402501 40 17703802443857252542 13540713 5 17677881345478082584 13690498 29 18411706508383186988 14910302 57 18059855103677360642 14930077 153 18114475555510831020 14955137 171 18118696650102523579 15001296 14 18271247222699419990 15276724 80 18334016124407622388 15775530 1 17914305087245239952 18603816 31 16486971769961283958 19958102 18 18272937106955231694 21033650 10 18260555502646731232 21641784 216 17748821925675268477 22393880 68 18410578345492926442 22620623 9 18410290306920035768 22907989 373 18263628616039873705 23559900 14 17202198719072709930 244849 19 17631715137071794072 25147074 1 17531514387790611832 3552219 110 14927938060575284256 3610482 184 17460057123107175564 46194498 28 18270682095028157328 469060 322 12902134005693732985 497634 4 17774738531733970400 59755656 520 18127145077505241272 6086070 43 18336546020245582608 7237137 82 18260263040542660513 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 623.7 14.02 5.34 2.31 21.74 4.47 0.28 -3.02 -6.8 -11.06 -2.66 0.82 -0.61 1.92 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1310.241 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 356.2 Conformer RMSD 7 2012.02.08 1.2 Diverse Conformer ID List 6 2012.02.08 10 265 3 268 171 103 286 109 294 187 288 245 284 196 81 243 104 234 262 250 252 11 180 128 238 65 46 50 92 293 132 220 189 157 102 116 48 274 21 192 217 112 147 251 84 256 64 177 223 292 61 121 244 190 247 38 66 283 139 266 291 106 270 240 35 77 15 193 277 170 97 138 27 125 133 203 272 111 136 55 237 276 122 182 273 210 135 227 146 93 226 145 155 249 60 82 99 198 269 230 108 110 205 62 163 239 137 74 131 34 197 123 47 124 181 20 56 267 141 115 264 169 248 75 89 40 118 33 29 58 94 216 114 71 57 113 285 222 91 225 200 213 59 149 95 42 178 233 96 63 228 37 5 183 13 229 206 232 204 275 231 278 254 159 271 45 158 195 80 117 199 90 184 134 287 28 7 221 101 279 242 8 22 54 26 119 289 246 52 173 218 160 68 88 166 18 253 214 261 72 153 73 202 236 241 175 1 41 127 107 219 167 148 207 87 194 168 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