11207 1 2 3 4 5 6 7 8 16 9 8 8 6 1 1 1 1 1 1 1 5 5 5 2 3 4 5 6 7 8 1 2 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 0.0518 0.8239 0.3931 0.3931 -1.6618 -1.8876 -1.8876 -2.2319 0.0001 -0.0005 -1.2661 1.2667 -0.0001 -0.8973 0.8966 0.0002 -0.1072 1.2828 -0.7316 -0.7307 0.2868 0.8656 0.8662 -0.6442 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002BC700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.4658 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 11787171430643895823 21015797 1 7902665367139730141 5943 1 12927609466548975895 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 87.73 1.37 1.11 1.02 0.89 0 -0.32 0 -0.07 -0.29 0.35 -0.27 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 144.725 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 61.3 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 5 1 1.39 2 -0.2 3 -0.65 4 -0.65 5 0.11 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