# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CVA' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -6.26400 -2.34600 1.31400 1.000 C1 C -5.48500 -1.43300 1.13900 1.000 N2 N -4.34500 -1.61500 0.43200 1.000 C3 C -4.07500 -2.90500 -0.20800 1.000 C4 C -3.94300 -2.70000 -1.64300 1.000 C5 C -3.72200 -4.02100 -2.40800 1.000 C6 C -2.27400 -4.41000 -2.28300 1.000 C7 C -2.02200 -5.37800 -1.11100 1.000 C8 C -2.81000 -4.99900 0.15700 1.000 C9 C -2.80500 -3.51700 0.41700 1.000 N10 N -3.42400 -0.56600 0.31600 1.000 C11 C -5.76100 -0.06200 1.69500 1.000 C12 C -5.25600 0.98300 0.69100 1.000 C13 C -6.00700 0.79400 -0.63300 1.000 C14 C -7.47900 0.65700 -0.40700 1.000 C15 C -8.01900 0.36600 0.73300 1.000 C16 C -7.23500 0.14600 1.99100 1.000 C17 C -3.79600 0.67200 0.42600 1.000 C18 C -2.81200 1.76200 0.28800 1.000 C19 C -3.22200 3.09400 0.40800 1.000 C20 C -2.30500 4.11500 0.28100 1.000 C21 C -1.47200 1.46600 0.04400 1.000 C22 C -0.54900 2.49800 -0.08400 1.000 C23 C -0.97100 3.82800 0.03200 1.000 O24 O -0.07200 4.83800 -0.09300 1.000 C25 C -0.57200 6.17100 0.03600 1.000 C26 C 0.87800 2.19100 -0.34300 1.000 C27 C 1.55400 2.84000 -1.37700 1.000 C28 C 2.87900 2.55600 -1.61900 1.000 C29 C 3.54700 1.61700 -0.82800 1.000 C30 C 2.86900 0.96900 0.20800 1.000 C31 C 1.54600 1.25800 0.45100 1.000 C32 C 4.96800 1.31100 -1.08700 1.000 O33 O 5.55700 1.87500 -1.98800 1.000 N34 N 5.61200 0.40600 -0.32300 1.000 C35 C 7.02200 0.10200 -0.58000 1.000 C36 C 7.50000 -0.93400 0.40500 1.000 O37 O 6.73800 -1.37500 1.23900 1.000 N38 N 8.77400 -1.37000 0.35900 1.000 C39 C 9.23900 -2.37700 1.31600 1.000 C40 C 10.71100 -2.69500 1.04800 1.000 O41 O 11.50400 -1.53400 1.30600 1.000 H42 H -4.91500 -3.57400 -0.02300 1.000 H43 H -4.84900 -2.22400 -2.01600 1.000 H44 H -4.34900 -4.80200 -1.97800 1.000 H45 H -1.95500 -4.88700 -3.21000 1.000 H46 H -1.67900 -3.50900 -2.12800 1.000 H47 H -2.31200 -6.38300 -1.41800 1.000 H48 H -0.95800 -5.37600 -0.87600 1.000 H49 H -3.84200 -5.33300 0.04500 1.000 H50 H -2.36600 -5.50800 1.01300 1.000 H51 H -1.92100 -3.06900 -0.03700 1.000 H52 H -2.80100 -3.33400 1.49200 1.000 H53 H -5.20900 0.05400 2.62800 1.000 H54 H -5.37700 1.99300 1.08300 1.000 H55 H -5.82300 1.65600 -1.27400 1.000 H56 H -5.63700 -0.10400 -1.12800 1.000 H57 H -8.13600 0.81100 -1.25000 1.000 H58 H -9.09400 0.27700 0.78000 1.000 H59 H -7.62300 -0.73400 2.50500 1.000 H60 H -7.34900 1.01500 2.63900 1.000 H61 H -4.26000 3.32300 0.60200 1.000 H62 H -2.62700 5.14100 0.37400 1.000 H63 H -1.15100 0.43800 -0.04400 1.000 H64 H -1.32500 6.35200 -0.73000 1.000 H65 H -1.01900 6.29700 1.02200 1.000 H66 H 0.24800 6.87900 -0.08400 1.000 H67 H 1.03700 3.56500 -1.98900 1.000 H68 H 3.40200 3.05700 -2.42000 1.000 H69 H 3.38500 0.24300 0.82000 1.000 H70 H 1.02300 0.76000 1.25400 1.000 H71 H 5.14200 -0.04400 0.39600 1.000 H72 H 7.13200 -0.28300 -1.59400 1.000 H73 H 7.61500 1.01000 -0.46900 1.000 H74 H 9.38400 -1.01800 -0.30800 1.000 H75 H 9.12900 -1.99200 2.33000 1.000 H76 H 8.64600 -3.28500 1.20600 1.000 H77 H 11.03300 -3.50600 1.70100 1.000 H78 H 10.83500 -2.99500 0.00800 1.000 H79 H 12.45000 -1.66200 1.15700 1.000 H80 H -3.09700 -2.03900 -1.82900 1.000 H81 H -3.97800 -3.88300 -3.45800 1.000