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Conformer ID List 6 2012.05.21 3 11 12 1 15 13 16 6 9 21 2 4 19 17 22 14 10 5 23 8 20 18 7 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 28 1 -0.11 13 0.41 14 0.37 16 0.31 17 -0.15 18 0.62 19 -0.15 2 -0.36 20 0.08 21 0.08 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.28 28 0.11 29 0.28 3 -0.36 4 -0.84 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.62 6 -0.62 7 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 1 hydrophobe 1 2 acceptor 1 3 acceptor 3 4 5 13 cation 3 5 6 18 cation 6 15 16 17 19 20 21 rings 6 22 23 24 25 26 28 rings 6 5 6 13 15 16 18 rings 6 7 8 9 10 11 12 rings 29 0 0 0 0 0 0 0 1 1