# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J55' 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 1.98400 1.11700 -1.50400 1.000 C1 C 1.62200 1.86300 -0.61900 1.000 N2 N 1.91100 1.57600 0.66600 1.000 C3 C 2.53300 0.37000 0.98700 1.000 N4 N 2.93400 -0.43900 0.01900 1.000 C5 C 2.73200 0.03200 2.32100 1.000 C6 C 3.35000 -1.16800 2.62600 1.000 C7 C 3.75100 -1.99100 1.58300 1.000 C8 C 3.52700 -1.58900 0.28000 1.000 Br9 Br 4.06900 -2.70500 -1.14700 1.000 C10 C 0.85300 3.11500 -0.95600 1.000 N11 N -0.51500 3.05300 -0.40500 1.000 C12 C -1.03800 4.31600 0.09300 1.000 C13 C -0.03200 5.48200 -0.03100 1.000 S14 S 1.56900 4.57400 -0.09200 1.000 C15 C -1.22800 1.91000 -0.36800 1.000 O16 O -0.74900 0.88200 -0.79600 1.000 C17 C -2.62200 1.91000 0.20700 1.000 N18 N -3.18000 0.55700 0.13400 1.000 C19 C -3.05100 -0.38500 1.11900 1.000 N20 N -2.46700 -0.41100 2.30900 1.000 C21 C -2.50300 -1.48500 3.06700 1.000 C22 C -3.15300 -2.64200 2.66100 1.000 C23 C -3.77600 -2.67500 1.43900 1.000 C24 C -3.72800 -1.52800 0.64900 1.000 C25 C -4.23700 -1.13800 -0.67100 1.000 N26 N -3.85600 0.10600 -0.86000 1.000 C27 C -5.02200 -1.97300 -1.59900 1.000 O28 O -5.31000 -3.11500 -1.29400 1.000 N29 N -5.42200 -1.47100 -2.78400 1.000 H30 H 1.68600 2.20700 1.36700 1.000 H31 H 2.40800 0.69700 3.10800 1.000 H32 H 3.51800 -1.45600 3.65400 1.000 H33 H 4.23700 -2.93400 1.78800 1.000 H34 H 0.83200 3.27500 -2.03400 1.000 H35 H -1.93900 4.56800 -0.46800 1.000 H36 H -1.30600 4.19400 1.14300 1.000 H37 H -0.19800 6.04600 -0.94900 1.000 H38 H -0.08000 6.13500 0.84000 1.000 H39 H -2.58600 2.23200 1.24700 1.000 H40 H -3.25000 2.59300 -0.36400 1.000 H41 H -2.01500 -1.46600 4.03100 1.000 H42 H -3.16800 -3.51100 3.30200 1.000 H43 H -4.28800 -3.56300 1.09900 1.000 H44 H -5.19300 -0.56000 -3.02700 1.000 H45 H -5.93800 -2.02000 -3.39400 1.000