6594 1 2 3 4 5 6 17 9 9 9 6 6 1 2 3 4 5 5 5 6 6 6 1 1 1 1 2 2 5 10 1 2 3 4 5 6 -1.8548 -0.9294 1.0601 1.635 -0.5998 0.6889 0.9714 -1.5156 1.4363 -0.8244 -0.2059 0.1382 -0.0001 0.0002 0.0002 -0.0001 -0.0001 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019C200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.6755 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 9222646904831194306 16714656 1 18121787127499259014 20096714 4 18410012113419664817 21015797 1 9294198727635977506 21040471 1 18410573968066761349 24536 1 18266723843834099213 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 103.53 2.08 1.4 0.56 0.42 0.09 0 -0.31 0 -0.02 0 0.06 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 184.753 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.1 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 6 1 -0.14 2 -0.15 3 -0.15 4 -0.15 5 0.29 6 0.3 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 6 0 0 0 0 0 0 0 1 1