# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '977' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 3.19800 -0.19300 2.84800 1.000 C1 C 1.99100 -0.12300 2.17300 1.000 N2 N 1.99200 -0.11400 0.85000 1.000 C3 C 0.84900 -0.05200 0.16800 1.000 C4 C -0.35400 0.01300 0.86800 1.000 Br5 Br -2.00400 0.11100 -0.04900 1.000 C6 C -0.31100 0.00700 2.26000 1.000 O7 O -1.45600 0.07000 2.98200 1.000 N8 N 0.86500 -0.06100 2.87100 1.000 C9 C 0.85800 -0.04800 -1.31500 1.000 C10 C -0.10300 -0.76700 -2.02200 1.000 C11 C -0.09300 -0.75600 -3.40200 1.000 C12 C 0.87400 -0.04200 -4.08300 1.000 C13 C 1.83500 0.66900 -3.38700 1.000 C14 C 1.83100 0.66900 -2.00600 1.000 H15 H 3.21200 -0.19700 3.81800 1.000 H16 H 4.02900 -0.24300 2.35100 1.000 H17 H -1.64000 1.00800 3.13400 1.000 H18 H -0.86000 -1.32600 -1.49100 1.000 H19 H -0.84100 -1.31000 -3.95100 1.000 H20 H 0.88100 -0.03900 -5.16300 1.000 H21 H 2.58900 1.22500 -3.92400 1.000 H22 H 2.58100 1.22500 -1.46400 1.000