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-1.2627 0.2162 1.5065 -1.4977 -0.3108 0.8681 -0.7798 -1.1167 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 007DEB1100000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 66.3983 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 25.374 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10622 236 17460578248083753170 10939801 23 18271806895565498414 11410812 94 16443612511961263758 117089 54 18410020926566761202 11796584 16 18122344580332547104 1200032 147 10807940383635920486 12107183 9 18341908355338937265 12522641 126 18188779474086471060 12633257 1 15913038846144874672 12760667 363 18335140890954379713 1361 4 18266741278061973874 13690498 29 17895193264646437181 13782708 43 18130788958023891338 13885169 86 9727635020747898719 13911852 28 18411419531505858439 14251764 30 18412262818158926250 14866123 147 18339651032265763977 14931854 50 17458339723802943875 15188451 53 17846217804473291937 15352257 5 18412263917708061858 15728490 51 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18342729742069553943 5104073 3 17917160497873769961 543368 44 9007063457435906491 5718773 13 18411416219680177022 59682541 35 18201990029263882426 636775 72 8934412114002586190 7970288 3 18410573993873676831 8863177 126 18342457036962010290 960060 61 17532369953998044157 96874 4 18409727369820361319 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 552.5 21.09 4.43 1.04 3.85 0.26 0.06 25.71 -0.73 -1.53 0.33 0.17 -0.16 -0.91 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1144.855 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 314.8 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2012.02.08 1 122 20 4 44 50 87 17 94 152 154 115 16 39 28 165 193 140 83 116 103 77 187 70 14 52 117 74 48 130 96 18 105 112 11 106 25 145 149 56 54 13 40 197 142 41 148 143 33 126 169 10 180 80 131 60 146 61 12 201 68 144 171 184 172 167 108 168 75 79 161 200 107 36 177 46 195 86 7 26 104 30 192 179 58 133 76 186 15 81 157 93 91 65 6 182 125 64 155 128 42 162 141 114 135 120 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