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18413673504631459590 445580 126 18411410709632613304 5104073 3 16371573742659459218 563151 248 14273456998173048449 58902169 19 16917344836088063804 59682541 35 18114473305960219873 59682541 52 16630531726456050652 6697151 62 17176275229062822275 6898599 12 17987794258133191526 9831232 110 12319733661359369437 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 578.72 23.68 2.91 1.63 7.06 0.33 -0.17 -19 2.06 -2.58 0.51 -0.38 -0.77 2.82 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1214.602 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 328.1 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2012.02.08 1 176 88 31 148 150 169 123 36 85 53 56 155 172 137 33 52 64 94 116 160 120 170 156 127 165 124 162 173 107 177 8 62 66 151 19 6 41 133 104 129 142 86 136 68 126 44 83 51 80 27 60 34 90 42 20 128 145 164 139 111 10 59 95 157 73 70 2 11 159 77 69 158 103 39 171 7 54 130 153 12 147 143 114 58 140 28 46 43 26 163 87 179 110 138 65 78 113 37 84 131 119 82 5 178 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