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71 42 26 30 56 36 34 66 59 22 63 73 15 21 43 40 45 53 9 17 37 35 44 10 24 31 14 2 3 5 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 34 1 -0.36 10 0.37 11 0.37 12 0.41 13 0.1 15 0.31 16 0.48 17 0.08 18 0.14 19 -0.15 2 -0.36 20 -0.15 21 -0.15 22 0.08 23 -0.15 24 -0.15 25 0.08 28 -0.15 29 0.28 3 -0.36 30 0.28 31 0.28 4 -0.84 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 5 -0.84 52 0.15 6 -0.62 7 -0.62 8 0.37 9 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 5 cation 3 18 26 27 hydrophobe 3 4 6 12 cation 3 6 7 16 cation 6 13 17 19 23 24 28 rings 6 14 15 20 21 22 25 rings 6 4 5 8 9 10 11 rings 6 6 7 12 14 15 16 rings 31 0 0 0 0 0 0 0 1 4