# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CR3' 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 -5.34100 0.22700 -0.03900 1.000 C1 C -4.96700 1.43500 0.56300 1.000 C2 C -3.65700 1.70000 0.83500 1.000 C3 C -2.67100 0.76900 0.51700 1.000 C4 C -3.03400 -0.45100 -0.08900 1.000 C5 C -4.37500 -0.72100 -0.36200 1.000 C6 C -6.76500 -0.04400 -0.32700 1.000 N7 N -7.12300 -1.19300 -0.90000 1.000 N8 N -7.69200 0.86000 -0.01400 1.000 N9 N -1.30400 0.76100 0.66900 1.000 C10 C -1.79100 -1.19500 -0.29200 1.000 C11 C -0.78600 -0.41800 0.18300 1.000 C12 C 0.64700 -0.78100 0.17800 1.000 C13 C 1.04000 -2.08700 0.47800 1.000 C14 C 2.37800 -2.42300 0.47200 1.000 C15 C 3.33600 -1.47000 0.17100 1.000 C16 C 2.95900 -0.17000 -0.12900 1.000 O17 O 3.90500 0.76100 -0.42500 1.000 C18 C 1.61400 0.18000 -0.13300 1.000 O19 O 1.24100 1.45400 -0.42700 1.000 C20 C 6.15800 0.88600 -1.33200 1.000 C21 C 5.15500 0.07100 -0.49800 1.000 C22 C 5.76500 -0.06900 0.91200 1.000 C23 C 7.28600 0.11100 0.68700 1.000 C24 C 7.34300 1.21300 -0.40000 1.000 H25 H -5.72300 2.16400 0.81400 1.000 H26 H -3.38300 2.63600 1.29900 1.000 H27 H -4.66000 -1.65600 -0.82100 1.000 H28 H -8.05700 -1.37100 -1.08900 1.000 H29 H -6.44800 -1.85100 -1.12800 1.000 H30 H -7.43200 1.69700 0.40300 1.000 H31 H -8.62600 0.68400 -0.20600 1.000 H32 H -0.78200 1.47900 1.06100 1.000 H33 H -1.69300 -2.17500 -0.73400 1.000 H34 H 0.29700 -2.83400 0.71400 1.000 H35 H 2.67900 -3.43300 0.70500 1.000 H36 H 4.38100 -1.74100 0.16900 1.000 H37 H 6.50300 0.29700 -2.18200 1.000 H38 H 5.69200 1.80800 -1.68100 1.000 H39 H 5.01200 -0.91300 -0.94300 1.000 H40 H 5.38200 0.70900 1.57200 1.000 H41 H 5.55400 -1.05700 1.32200 1.000 H42 H 7.73500 -0.81300 0.32400 1.000 H43 H 7.77500 0.44600 1.60200 1.000 H44 H 8.28500 1.16100 -0.94700 1.000 H45 H 7.21500 2.19800 0.04900 1.000