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0.15 -5.86 -0.49 -11.2 0.49 0.32 -0.18 0.91 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1348.264 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 340.6 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 5 32 39 19 20 33 18 35 11 42 34 29 23 21 25 28 10 3 37 30 12 41 38 7 36 6 17 26 27 4 31 16 2 15 40 13 22 24 14 1 8 9 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 34 1 -0.36 12 0.51 13 0.41 14 0.37 15 0.37 16 0.37 17 0.37 19 0.31 2 -0.36 20 0.1 21 -0.15 22 -0.15 23 0.08 24 0.08 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.08 3 -0.36 30 0.28 31 0.28 32 0.28 4 -0.84 48 0.15 49 0.15 5 -0.84 50 0.15 51 0.15 52 0.15 53 0.15 6 -0.62 7 -0.62 8 0.11 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8 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 4 6 13 cation 3 6 7 12 cation 4 8 9 10 11 rings 6 18 19 21 22 23 24 rings 6 20 25 26 27 28 29 rings 6 4 5 14 15 16 17 rings 6 6 7 12 13 18 19 rings 32 0 0 0 0 0 0 0 1 1