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57303763 39 17345467275216906950 57676310 188 17749104465904641539 5937810 71 12540959773999488983 59521660 218 17489016180139213065 59682541 35 17917708015940461736 6201320 215 8790623476031383070 67123 10 18113900464159207716 9663363 56 16845573102937164889 9937071 3 17775566408809634686 9953998 17 14907896089720320245 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 669.61 37.48 2.03 1.59 50.1 1.02 -0.39 12.78 0.69 -4.12 -0.3 0.8 -0.59 0.18 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1359.022 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 394.9 Conformer RMSD 7 2012.11.26 1.2 Diverse Conformer ID List 6 2012.11.26 1 13 63 72 115 83 148 79 21 85 132 56 180 152 108 128 137 172 86 174 175 178 15 157 158 45 134 81 103 50 117 54 57 38 55 136 91 65 149 140 111 161 153 114 118 113 127 109 126 130 171 67 160 84 94 181 92 155 145 43 27 121 71 102 26 46 159 95 150 20 154 170 87 53 167 141 112 64 131 179 143 51 33 133 82 122 99 93 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rings 34 0 0 0 1 1 0 0 1 2