# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FXJ' 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 2.47200 -1.19500 0.63400 1.000 C1 C -1.69800 -2.48700 -0.44000 1.000 C2 C -3.78200 -2.53300 0.75400 1.000 C3 C -5.94600 -4.96900 -0.92100 1.000 C4 C -3.45600 -3.95500 -1.16400 1.000 C5 C -2.18400 -3.45400 -1.32500 1.000 C6 C -1.93000 3.74900 0.14200 1.000 O7 O -1.71600 2.76500 -1.96700 1.000 C8 C -1.28000 2.84900 -0.83500 1.000 N9 N -0.20600 2.12200 -0.47100 1.000 C10 C 0.43800 1.23100 -1.43900 1.000 C11 C 1.60700 0.53900 -0.78600 1.000 C12 C 2.89100 1.00000 -1.00100 1.000 C13 C 3.96400 0.37000 -0.39600 1.000 Br14 Br 5.72100 1.00400 -0.69300 1.000 C15 C 3.75400 -0.72700 0.42000 1.000 Br16 Br 2.18500 -2.69400 1.75000 1.000 C17 C 1.39300 -0.56000 0.03300 1.000 O18 O 0.13000 -1.01600 0.24500 1.000 C19 C -0.33600 -1.94700 -0.60900 1.000 C20 C -2.50900 -2.03000 0.60300 1.000 C21 C -4.26100 -3.49400 -0.12900 1.000 O22 O -5.51700 -3.98300 0.02100 1.000 O23 O 0.36600 -2.34300 -1.51900 1.000 C24 C -3.29200 3.62000 0.41600 1.000 N25 N -4.09200 2.58400 -0.27400 1.000 O26 O -5.30000 2.54700 -0.12500 1.000 O27 O -3.54300 1.76800 -0.99300 1.000 C28 C -3.89000 4.45900 1.33300 1.000 C29 C -3.14400 5.42700 1.98000 1.000 C30 C -1.79300 5.56100 1.71200 1.000 C31 C -1.18200 4.72800 0.79800 1.000 H32 H -4.41000 -2.17700 1.55700 1.000 H33 H -6.96600 -5.27400 -0.68800 1.000 H34 H -5.91300 -4.54900 -1.92600 1.000 H35 H -5.28600 -5.83500 -0.86700 1.000 H36 H -3.83200 -4.70200 -1.84800 1.000 H37 H -1.56200 -3.80700 -2.13500 1.000 H38 H 0.14200 2.18900 0.43200 1.000 H39 H -0.28100 0.48600 -1.78000 1.000 H40 H 0.79000 1.81300 -2.29100 1.000 H41 H 3.05700 1.85600 -1.63800 1.000 H42 H 4.59300 -1.21800 0.89100 1.000 H43 H -2.13700 -1.28300 1.28900 1.000 H44 H -4.94500 4.36000 1.54600 1.000 H45 H -3.61700 6.08200 2.69700 1.000 H46 H -1.21500 6.31900 2.22000 1.000 H47 H -0.12600 4.83100 0.59300 1.000