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38695281 34 18411129205013020309 3882209 13 17477728714359980810 4017518 198 18272369737945018206 4394409 98 18187370883088187654 44062 13 18340206417979806526 463206 1 18339922718404877508 5085150 59 18270108008113943026 5265222 85 18335145271689815580 5309563 4 16968299799574844754 59755656 215 18264764355775158381 6138700 20 18338515240088817605 70251023 43 17545320143462273819 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 600.42 12.83 6.4 1.12 20.53 6.08 -0.17 -1.71 3.75 -2.62 0.18 -0.45 1.05 -0.06 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1238.473 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 346.9 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 37 35 88 12 129 17 57 96 141 52 77 89 50 103 100 40 81 101 130 14 41 104 99 20 93 123 139 138 117 97 56 6 67 25 114 59 110 111 15 132 122 84 70 115 98 106 23 39 95 28 65 24 108 73 91 116 11 9 82 112 148 32 74 120 119 46 72 128 7 75 42 131 5 107 31 80 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