8301 1 2 3 4 5 6 9 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 -1.3407 -1.3407 1.3406 1.3407 -0.6659 0.6659 -1.1682 1.1682 1.1682 -1.1681 0 0 0 0 0 0 0 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000206D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0216 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 9295288339353788099 16714656 1 17762345712585910038 20096714 4 18338238150289611825 21015797 1 9222967962036600836 21040471 1 18266741268506005989 29004967 10 17973451193536535683 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 94.38 1.74 1.3 0.53 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 176.612 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 57.4 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 -0.15 2 -0.15 3 -0.15 4 -0.15 5 0.3 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