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5.5732 0.2786 1.7865 -7.2649 -5.2559 4.0203 5.0432 2.5963 4.7861 3.3156 1.5653 2.147 0.8289 2.4733 -0.1723 1.4722 0.1494 -1.5513 -1.9431 -3.3409 -3.6376 -4.331 -4.9607 -5.6541 -5.969 -8.051 4.2316 5.0449 2.3415 5.1031 3.0615 1.7307 1.5777 3.9563 6.4693 5.3049 0.2721 0.5965 3.5047 -0.6268 -2.287 -1.2103 0.9746 -2.8531 -4.13 -6.4342 -4.4357 -7.6197 -9.0543 -8.1293 -1.1065 -3.9789 -2.2685 1.107 0.5663 -2.7133 5.4646 -1.0658 -2.8311 -2.8446 -1.7849 -2.2934 -0.4605 -0.0536 -3.2929 1.9752 1.5364 3.2911 2.4219 4.1767 3.742 1.9686 0.6762 0.2151 -1.1011 1.1068 -1.5375 0.6705 -0.6518 -0.9338 -3.1784 -1.6396 -2.0497 -0.5293 0.1859 -3.5329 -4.221 -3.694 -3.1156 0.6447 -1.9043 0.5192 3.6279 4.4368 2.7666 -0.1242 5.9353 -1.7926 2.1372 1.364 -3.2951 -1.5204 -1.3136 0.118 0.6077 -0.9286 -0.141 0.9503 -0.3689 0.2214 -0.4623 -0.3828 0.3745 -0.0753 -0.4851 -0.1781 0.2339 0.141 0.3367 0.5585 0.4766 0.2452 0.0774 -0.1538 -0.2377 -0.0111 -0.1116 -0.1819 0.1327 -0.5613 0.066 -0.628 -0.3143 0.7999 0.948 -1.5725 -1.2186 1.2813 -0.9024 1.3922 -0.2419 -1.8381 -0.602 -1.3003 0.7609 0.7712 0.3102 -0.5514 0.0375 -0.1613 -0.7176 0.431 -0.8363 -0.9305 0.6154 1.6172 0.5887 1.0926 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0009B91D00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 107.6464 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 81.263 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10316853 100 18336264638613440050 10411042 1 18338797802119444090 10580692 12 18411136932160709569 11513181 2 17767128979109396390 117089 54 18055925294443559278 11719270 70 18194957676635094144 12107183 9 18270410369833327249 12166972 35 17894917295685704014 13008946 62 16742018052285645925 13383661 66 17487350235719444110 13402501 40 18408321081573849667 13533116 47 18271242833063001849 1361 2 18410290358480534608 13631057 29 18197216941628368936 13692114 37 17548684636148076776 13785724 45 18342185414656237333 138480 1 18410572885819541712 13955234 65 18198901603121066609 13989917 61 18266741466724095219 14866123 147 17909830929919330697 15250474 111 17983283022660311719 15320467 1 18410854369550087559 15352361 1 18339359669319107116 15361156 5 18042129911613021671 15400415 2 17618221050240363453 15803439 3 17103161382286275148 15927050 60 17908425010675606886 16067689 302 18050004695976749279 17492 89 18338796835973523985 1979834 28 18270667779385241152 21033650 10 16806728369775283029 21130935 74 18196937880650405099 21197605 99 17831581242786389763 23559900 14 18409720786326287737 24771750 20 17971764521204274460 3004659 81 18114178622851459920 329604 57 18337392626470376918 338550 245 18192427687261590229 3421961 26 18412821412836765368 3882209 13 17108993896086844275 4144715 1 18187366588954886425 46194498 28 17748824146041810445 463206 1 18335709290714904002 5265222 85 17398683783545447421 5309563 4 18411416168140472117 53794403 172 18191305081637030413 5776283 40 18118696645649359028 613672 6 18194373659465561444 6443956 14 18408882927741839861 7970288 3 18339359665230102086 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 564.56 16.58 5.8 0.76 23.88 4.35 -0.01 -14.14 0.53 -7.14 0.58 0.08 -0.03 1.13 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1205.439 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 311.8 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2012.02.08 1 70 119 193 186 138 35 78 225 18 126 200 131 118 17 4 214 179 233 206 147 208 166 95 112 167 222 141 21 178 199 123 205 207 13 191 231 99 76 196 174 8 83 192 181 132 9 148 73 212 89 110 130 158 127 19 230 80 187 56 10 84 140 234 185 97 23 107 71 94 217 57 6 12 111 204 90 105 201 11 133 172 120 69 151 39 20 108 209 3 14 144 218 2 117 228 106 145 139 203 38 154 211 41 67 224 221 190 189 7 47 175 135 219 142 98 220 68 155 202 198 55 149 49 5 216 114 60 61 116 156 197 34 195 15 79 93 232 134 115 92 163 159 229 169 37 51 168 227 177 170 62 223 226 157 104 32 150 22 173 103 82 27 152 102 24 88 136 50 16 52 213 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25 26 27 28 29 rings 30 5 5 0 1 1 0 0 1 8