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Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 215 239 72 176 136 56 205 131 45 217 63 196 158 183 20 200 129 69 104 109 126 80 61 159 180 230 231 141 166 223 111 234 172 225 222 167 12 90 212 144 147 164 60 145 216 171 24 181 79 168 102 93 149 119 101 179 232 66 112 248 228 86 14 204 160 155 140 184 152 128 235 85 175 209 214 108 250 246 138 202 95 118 115 117 78 84 29 213 96 188 192 110 81 77 67 15 49 137 82 237 194 4 57 153 10 46 44 198 189 224 146 207 98 190 42 211 5 37 51 39 22 245 197 97 151 142 100 233 26 244 120 191 68 173 127 23 116 169 178 114 218 65 124 134 247 55 193 9 113 195 35 94 229 33 130 226 163 177 220 70 125 6 34 165 240 53 242 210 59 241 161 132 32 76 123 187 170 64 156 143 105 18 221 182 27 150 50 83 13 135 99 74 28 88 133 58 92 251 107 203 121 219 54 87 48 73 236 75 227 122 36 89 154 43 40 106 148 157 186 8 201 199 16 185 103 91 25 238 249 19 52 208 206 2 243 162 30 31 71 11 7 38 41 21 174 47 62 139 3 17 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 43 1 -0.57 11 0.3 12 0.36 13 0.3 14 0.3 15 0.3 16 0.57 2 -0.57 21 0.71 22 0.71 23 0.1 24 -0.24 25 -0.15 26 -0.15 27 0.23 28 -0.15 3 -0.57 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 -0.15 4 -0.66 5 -0.66 58 0.37 59 0.27 6 -0.73 60 0.27 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 66 0.15 67 0.15 68 0.15 69 0.15 7 0.03 8 -0.57 9 0.03 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 14 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 6 donor 1 7 donor 1 9 cation 1 9 donor 3 7 8 23 cation 4 10 17 18 19 hydrophobe 5 7 8 23 25 27 rings 5 9 24 26 28 29 rings 6 25 27 30 31 34 35 rings 6 28 29 32 33 36 37 rings 6 4 5 11 13 14 15 rings 37 2 2 0 0 0 0 0 1 44