# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '08B' 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 5.39400 2.47700 0.72700 1.000 C1 C 4.60100 1.23300 0.41900 1.000 C2 C 5.11500 0.06100 -0.02700 1.000 C3 C 4.05500 -0.83800 -0.18900 1.000 C4 C 2.90200 -0.17400 0.17100 1.000 N5 N 3.25800 1.10100 0.54800 1.000 C6 C 1.54300 -0.72600 0.15900 1.000 O7 O 1.35700 -1.87600 -0.19300 1.000 N8 N 0.50100 0.03900 0.53700 1.000 C9 C -0.85600 -0.51300 0.52500 1.000 C10 C -1.72900 0.25100 1.52500 1.000 C11 C -3.15900 -0.28900 1.46400 1.000 N12 N -3.68700 -0.12800 0.10300 1.000 C13 C -2.89300 -0.89100 -0.86900 1.000 C14 C -1.45400 -0.37000 -0.87700 1.000 C15 C -5.02800 -0.48800 0.04300 1.000 C16 C -5.98700 0.47400 -0.26000 1.000 C17 C -7.31800 0.10200 -0.31700 1.000 C18 C -7.64600 -1.22400 -0.06800 1.000 C19 C -6.64300 -2.12600 0.22600 1.000 N20 N -5.38100 -1.74400 0.26800 1.000 N21 N -5.62200 1.75800 -0.49500 1.000 O22 O -6.47400 2.61300 -0.65900 1.000 O23 O -4.44200 2.05600 -0.54200 1.000 Br24 Br 6.94000 -0.29600 -0.37100 1.000 H25 H 5.71000 2.45700 1.77000 1.000 H26 H 6.27200 2.51600 0.08200 1.000 H27 H 4.77400 3.35500 0.55100 1.000 H28 H 4.12700 -1.86000 -0.53100 1.000 H29 H 2.64900 1.79200 0.85300 1.000 H30 H 0.64900 0.95600 0.81800 1.000 H31 H -0.82300 -1.56700 0.80100 1.000 H32 H -1.33200 0.11700 2.53100 1.000 H33 H -1.72900 1.31100 1.27200 1.000 H34 H -3.16000 -1.34600 1.73000 1.000 H35 H -3.78600 0.26200 2.16400 1.000 H36 H -2.89500 -1.94500 -0.59100 1.000 H37 H -3.32700 -0.77600 -1.86200 1.000 H38 H -1.45000 0.68000 -1.16900 1.000 H39 H -0.86100 -0.94800 -1.58700 1.000 H40 H -8.08400 0.82600 -0.54900 1.000 H41 H -8.67600 -1.54700 -0.10500 1.000 H42 H -6.89400 -3.15800 0.42000 1.000