# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CA9' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -0.35200 -2.28500 -0.51000 1.000 C1 C 1.79300 -4.04900 -0.26100 1.000 C2 C 0.77500 -4.31700 -1.36800 1.000 C3 C -0.41400 -3.41500 -1.18800 1.000 C4 C 2.13100 -2.55600 -0.22800 1.000 C5 C 0.87200 -1.75500 0.15500 1.000 C6 C 0.78200 -1.93300 1.68600 1.000 C7 C 2.25200 -1.91000 2.15600 1.000 C8 C 3.10900 -2.30900 0.94200 1.000 C9 C 2.70400 -2.08700 -1.56700 1.000 C10 C 4.07300 -1.17500 0.58700 1.000 C11 C 5.13600 -1.04900 1.68100 1.000 C12 C 3.29800 0.13900 0.47500 1.000 C13 C 4.23700 1.24700 -0.00500 1.000 C14 C 3.46100 2.56000 -0.11700 1.000 C15 C 4.40100 3.66800 -0.59800 1.000 C16 C 4.97100 3.29500 -1.96700 1.000 C17 C 3.62500 4.98200 -0.70900 1.000 O18 O 5.47000 3.82500 0.33700 1.000 C19 C -1.55000 -1.50700 -0.41100 1.000 C20 C -2.53200 -0.86800 -0.32900 1.000 C21 C -3.73000 -0.09000 -0.23000 1.000 C22 C -3.67500 1.19900 0.53800 1.000 C23 C -5.08900 1.66000 0.89400 1.000 C24 C -5.94900 1.62200 -0.37500 1.000 C25 C -6.14200 0.16200 -0.78800 1.000 C26 C -4.81700 -0.54300 -0.82300 1.000 O27 O -5.04500 2.99400 1.40400 1.000 O28 O -7.00300 -0.48600 0.15000 1.000 C29 C -7.31000 2.26100 -0.09400 1.000 H30 H 1.37200 -4.34800 0.70000 1.000 H31 H 2.70000 -4.62300 -0.45400 1.000 H32 H 1.23400 -4.12200 -2.33800 1.000 H33 H 0.45200 -5.35700 -1.32100 1.000 H34 H -1.35600 -3.70400 -1.63000 1.000 H35 H 1.00800 -0.70400 -0.10100 1.000 H36 H 0.22500 -1.11000 2.13400 1.000 H37 H 0.31800 -2.88800 1.93200 1.000 H38 H 2.52100 -0.90800 2.49100 1.000 H39 H 2.39600 -2.62600 2.96600 1.000 H40 H 3.66600 -3.21900 1.16100 1.000 H41 H 2.01400 -2.34900 -2.36900 1.000 H42 H 2.84200 -1.00600 -1.54400 1.000 H43 H 3.66500 -2.57300 -1.74000 1.000 H44 H 4.55600 -1.39400 -0.36500 1.000 H45 H 5.61700 -2.01500 1.83300 1.000 H46 H 5.88200 -0.31400 1.37900 1.000 H47 H 4.66500 -0.72700 2.61000 1.000 H48 H 2.48200 0.02000 -0.23800 1.000 H49 H 2.89100 0.40500 1.45100 1.000 H50 H 5.05300 1.36600 0.70800 1.000 H51 H 4.64300 0.98000 -0.98100 1.000 H52 H 2.64600 2.44100 -0.83000 1.000 H53 H 3.05500 2.82700 0.85900 1.000 H54 H 4.15500 3.17500 -2.68000 1.000 H55 H 5.64100 4.08400 -2.31000 1.000 H56 H 5.52400 2.35900 -1.88800 1.000 H57 H 3.21900 5.24800 0.26600 1.000 H58 H 4.29400 5.77100 -1.05200 1.000 H59 H 2.80900 4.86300 -1.42200 1.000 H60 H 5.18200 4.06200 1.22900 1.000 H61 H -3.10200 1.04900 1.45300 1.000 H62 H -3.18800 1.96100 -0.07000 1.000 H63 H -5.51400 0.99300 1.64400 1.000 H64 H -5.44400 2.16500 -1.17500 1.000 H65 H -6.59500 0.12300 -1.77900 1.000 H66 H -4.75200 -1.47700 -1.36200 1.000 H67 H -4.50500 3.09300 2.20000 1.000 H68 H -7.17200 -1.41700 -0.04800 1.000 H69 H -7.16800 3.29700 0.21600 1.000 H70 H -7.91800 2.23300 -0.99800 1.000 H71 H -7.81300 1.71000 0.70000 1.000