9668 1 2 3 4 5 6 9 9 8 8 6 6 1 2 3 4 5 5 6 5 6 6 1 1 2 2 1 2 5 10 1 2 3 4 5 6 -1.5056 1.5056 -1.2652 1.2653 -0.7403 0.7403 -1.0212 1.0212 1.1718 -1.1718 0.0742 -0.0742 -0.0005 -0.0005 0.0003 0.0003 0.0003 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000025C400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.6174 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 9222967966584918627 16714656 1 17906461278629378988 20096714 4 18338238133088617657 21015797 1 9222962464478461956 21040471 1 18122626054665621093 24536 1 18339627971599433440 29004967 10 18045228382070931459 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.19 1.88 1.24 0.54 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 184.17 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 59.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 5 4 3 6 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.22 2 -0.22 3 -0.57 4 -0.57 5 0.79 6 0.79 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 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