9999 1 2 3 4 7 7 6 6 1 2 3 3 4 4 3 3 1 2 5 10 1 2 3 4 1.8461 -1.8461 0.6861 -0.6861 0 0 0 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000270F00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0633 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856563934802343 20096714 4 9151161065377117830 21015797 1 18122626329516965941 5460574 1 18410856546754887684 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 72.36 2.31 0.57 0.57 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 128.838 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 43.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 4 1 -0.56 2 -0.56 3 0.56 4 0.56 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 1 acceptor 1 2 acceptor 4 0 0 0 0 0 0 0 1 1