# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J56' 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 -1.18500 1.67700 1.27500 1.000 C1 C -0.46500 2.06500 0.37900 1.000 N2 N -0.69600 1.67300 -0.88900 1.000 C3 C -1.69600 0.73900 -1.15800 1.000 N4 N -2.48500 0.32200 -0.18000 1.000 C5 C -1.85900 0.25800 -2.45300 1.000 C6 C -2.85500 -0.66900 -2.70700 1.000 C7 C -3.65700 -1.08400 -1.65300 1.000 C8 C -3.44300 -0.56100 -0.39200 1.000 Br9 Br -4.53100 -1.12100 1.04900 1.000 C10 C 0.68500 2.99000 0.68400 1.000 N11 N 1.97500 2.33600 0.39100 1.000 C12 C 2.99900 3.20800 -0.16500 1.000 C13 C 2.51400 4.66200 -0.36600 1.000 S14 S 0.69100 4.42600 -0.46900 1.000 C15 C 2.19000 1.02600 0.62200 1.000 O16 O 1.30500 0.33900 1.08800 1.000 C17 C 3.53000 0.41400 0.30300 1.000 N18 N 3.50900 -1.01100 0.64200 1.000 C19 C 3.14200 -2.02500 -0.20400 1.000 C20 C 2.70900 -2.06800 -1.52700 1.000 C21 C 2.41200 -3.26900 -2.10600 1.000 C22 C 2.53600 -4.45400 -1.39100 1.000 C23 C 2.95800 -4.44200 -0.09400 1.000 C24 C 3.26900 -3.22400 0.52200 1.000 C25 C 3.73500 -2.85100 1.85300 1.000 N26 N 3.86700 -1.55600 1.88000 1.000 H27 H -0.16800 2.04000 -1.61500 1.000 H28 H -1.21700 0.60400 -3.24900 1.000 H29 H -3.00400 -1.05900 -3.70300 1.000 H30 H -4.44300 -1.80600 -1.81800 1.000 H31 H 0.64500 3.32600 1.72000 1.000 H32 H 3.85700 3.21400 0.50700 1.000 H33 H 3.31500 2.80800 -1.12800 1.000 H34 H 2.78100 5.28500 0.48800 1.000 H35 H 2.90800 5.08200 -1.29100 1.000 H36 H 3.73800 0.53100 -0.76100 1.000 H37 H 4.30500 0.91400 0.88200 1.000 H38 H 2.60800 -1.15400 -2.09400 1.000 H39 H 2.07600 -3.29700 -3.13200 1.000 H40 H 2.29500 -5.39300 -1.86700 1.000 H41 H 3.05100 -5.36800 0.45500 1.000 H42 H 3.93800 -3.52800 2.67000 1.000