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Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 0442414500000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 116.8628 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 56.005 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 11093857 51 17608113153640223868 11115154 58 18116718408748902122 11136131 41 18339358681809562288 11331351 85 18193275178598028307 11720765 8 18339080393614007352 12440610 7 17897452919712843251 12677640 9 17183339518282660690 13782708 43 17749395823822548079 13835254 42 18122344572048782290 14150023 79 18194687188379002404 15347591 1 18411418445675905859 15351339 4 17605840196965421986 15484559 13 18198072563707118870 18393751 57 17761214719064339953 19301679 30 17906172854681264566 19311894 1 17905890279670173440 19319366 153 17983859161751131263 22889206 1 18338236093754683688 23559900 14 18410853240495376251 23845131 108 17834114530703611214 32027 91 18337947892690603597 3504750 166 17836362649150991163 4144715 1 18189062039746796195 4760202 170 18191294980549398021 563151 97 17908700983609216436 6004065 56 18408603682539023090 6695519 79 17690590862060741115 6697151 62 18268694048633478015 6700243 42 17626969486268065134 79837 15 17402334171424477664 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 810.97 19.78 10.02 1.38 36.73 6.08 -0.08 -9.25 -0.41 -24.58 -2.76 -0.48 -0.42 -0.9 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1749.516 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 450.4 Conformer RMSD 7 2012.11.26 1.4 Diverse Conformer ID List 6 2012.11.26 1 71 109 80 115 46 157 12 143 29 56 134 23 120 103 37 90 99 58 116 156 111 88 142 44 73 45 63 94 35 149 75 76 38 105 125 119 133 61 74 79 152 30 83 150 104 160 107 77 19 6 113 126 20 95 101 135 32 33 87 13 129 146 102 151 62 5 57 92 147 132 128 148 55 106 26 18 117 34 141 59 85 9 40 43 93 159 153 139 66 65 15 42 69 127 81 136 78 140 130 137 118 158 21 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6 27 29 32 33 35 36 rings 6 34 37 38 39 40 41 rings 6 4 9 10 11 14 15 rings 41 1 1 0 0 0 0 0 1 2