81714 1 2 3 4 5 6 7 8 9 14 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 4 5 6 3 7 8 9 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 1.5078 -0.1995 -1.3084 1.748 2.4841 1.7477 -0.2918 -2.2843 -1.2796 0.183 -0.4649 0.2818 1.0157 -0.9359 1.0168 -1.5461 -0.1927 1.3666 0 0 0 -1.2062 0.0007 1.2056 0 -0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00013F3200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.3089 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856568409117700 20096714 4 9295281759822554290 21015797 1 18191588772658428174 5460574 1 18410856551308343812 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 79.95 2.21 0.86 0.77 0.14 0.02 0 0.25 0 0.12 0 0.18 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 117.342 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 61.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 9 1 0.83 2 -0.38 3 -0.3 4 -0.2 5 -0.2 6 -0.2 7 0.15 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 3 0 0 0 0 0 0 0 1 1