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10519688013167785898 7970288 3 18261117417081362179 8863177 126 17533518960697103803 960060 61 15791728603276651298 9709674 26 18191868040301491225 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 414.32 12.16 2.06 1.42 3.86 1.07 0.12 -7.65 0.28 -1.06 -0.24 -0.02 -0.3 0.2 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 874.44 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 235.1 Conformer RMSD 7 2012.05.21 0.6 Diverse Conformer ID List 6 2012.05.21 11 227 225 131 89 145 199 117 110 167 161 124 133 87 45 165 219 190 204 172 116 170 164 81 122 178 224 104 132 149 176 146 223 141 108 203 54 210 15 130 160 216 222 193 114 220 73 1 85 206 76 102 57 112 214 128 72 75 109 213 142 74 186 18 9 19 181 180 174 71 184 177 25 10 79 43 82 139 105 192 196 179 195 191 201 171 95 113 215 27 136 39 62 83 202 123 91 77 13 70 97 147 106 155 127 183 6 78 40 34 189 221 153 96 226 46 88 48 129 93 31 118 30 36 41 148 156 92 20 59 28 200 50 3 99 120 162 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