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11963386349407591463 4073 2 18335988661938575795 4093350 32 18060140920929395367 4340502 62 18260545649707144596 46194498 28 18130227034952919174 4874694 18 18187639237694188819 57359948 33 16951117375116835191 5758199 1 18340201998669676344 5776283 40 18271823302341284430 6086070 43 11671779403090398372 70251023 43 18126858101155088382 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 655.41 22.98 4.69 1.58 51.63 5.7 -0.43 -11.17 5.18 -10.44 0.85 -1.52 1.57 0.27 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1401.706 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 364.6 Conformer RMSD 7 2010.09.21 1 Diverse Conformer ID List 6 2012.02.08 1 48 93 44 138 37 145 54 75 50 58 147 133 38 121 22 98 118 142 103 91 129 130 120 96 42 57 32 67 92 132 14 88 80 73 12 124 115 113 94 24 134 127 72 95 7 51 99 43 85 31 110 117 125 112 49 78 141 36 140 90 128 83 4 74 77 135 8 137 3 148 151 126 143 106 87 86 122 131 144 15 34 55 153 101 9 149 40 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