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Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 64 91 201 129 56 95 93 218 120 217 192 167 165 166 16 101 70 208 116 90 33 189 100 204 115 157 151 220 158 32 153 40 191 186 205 146 212 66 187 171 84 97 27 216 213 190 99 172 150 197 147 44 50 81 49 185 188 136 83 30 132 214 195 67 12 78 45 72 126 14 69 133 149 114 46 35 219 47 117 77 177 111 156 25 75 168 59 53 183 102 203 198 110 210 82 80 109 193 164 130 170 87 121 107 159 103 119 148 113 41 141 160 106 134 199 23 62 181 196 43 105 182 173 200 86 26 152 68 123 92 180 88 71 118 19 209 9 145 143 96 42 206 128 51 155 174 163 39 36 169 162 122 140 24 127 154 207 15 215 98 61 94 17 60 34 85 13 142 202 124 184 57 29 125 137 21 139 37 5 161 58 11 194 55 131 38 31 76 52 74 48 6 176 144 7 135 20 108 22 175 2 211 73 65 18 179 8 112 79 54 138 63 3 104 178 89 28 4 10 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 36 1 1.45 10 0.27 11 0.27 12 0.33 13 -0.01 14 -0.14 15 -0.14 16 0.14 17 0.14 2 -0.65 20 -0.15 22 -0.15 23 -0.15 24 0.57 25 0.12 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.65 30 -0.15 4 -0.57 48 0.15 5 -0.85 52 0.15 53 0.15 54 0.37 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.81 7 -0.55 8 0.36 9 0.36 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 cation 1 7 donor 6 13 14 15 20 22 23 rings 6 14 15 16 17 18 19 rings 6 25 26 27 28 29 30 rings 6 5 6 8 9 10 11 rings 30 1 0 1 0 0 0 0 1 3