6278 1 2 3 4 5 6 7 8 17 17 17 6 6 1 1 1 1 2 3 4 5 5 5 4 4 4 5 6 7 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.4256 -1.4837 0.0565 0 0.0015 -0.864 -0.0328 0.9025 0.8888 0.7901 -1.6797 0 0.0009 -0.5388 1.021 -0.4788 0.5472 0.545 0.5451 -0.0571 -1.5801 -1.9823 -1.9805 -1.9805 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000188600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.0703 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 11954450713102949346 20096714 4 17917989464535867744 5943 1 14753093987518644276 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 108.51 1.52 1.52 1.3 0.24 0.7 -0.67 -0.7 0.47 -0.24 0.47 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 165.812 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 80.3 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 4 1 -0.29 2 -0.29 3 -0.29 4 0.87 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 5 0 0 0 0 0 0 0 1 1