# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FXD' 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 -4.69300 0.87600 -0.91500 1.000 C1 C -4.32100 1.77500 0.20000 1.000 C2 C 2.63400 -1.07500 -0.00400 1.000 C3 C 1.46400 -0.58500 -0.57000 1.000 C4 C -3.04900 2.34700 0.24300 1.000 C5 C -2.06900 2.05700 -0.82500 1.000 C6 C -3.62600 3.46000 2.29200 1.000 C7 C -5.23400 2.05400 1.19700 1.000 C8 C 0.11800 1.28000 -1.56700 1.000 C9 C 1.38600 0.74600 -0.95400 1.000 C10 C 2.47200 1.58100 -0.77300 1.000 C11 C 3.63700 1.09100 -0.21000 1.000 C12 C 3.71700 -0.23600 0.17500 1.000 O13 O -2.35800 2.26100 -1.98700 1.000 C14 C -2.70600 3.19400 1.29900 1.000 C15 C -4.88800 2.89500 2.24000 1.000 O16 O -5.84000 0.47900 -1.02000 1.000 O17 O -3.85400 0.53800 -1.73000 1.000 N18 N -0.85300 1.56700 -0.50900 1.000 Br19 Br 5.12100 2.23700 0.03600 1.000 Br20 Br 2.74100 -2.88600 0.52800 1.000 O21 O 0.39700 -1.40800 -0.74700 1.000 C22 C -0.48900 -1.48800 0.26400 1.000 O23 O -0.31400 -0.84000 1.27700 1.000 C24 C -1.67300 -2.36200 0.14200 1.000 C25 C -2.59300 -2.44700 1.18900 1.000 C26 C -3.69700 -3.26600 1.06800 1.000 C27 C -1.88000 -3.10400 -1.02300 1.000 C28 C -2.98800 -3.91900 -1.13000 1.000 C29 C -3.89300 -4.00200 -0.08700 1.000 H30 H -3.36200 4.11500 3.10900 1.000 H31 H -6.22000 1.61600 1.16300 1.000 H32 H 0.33800 2.19500 -2.11700 1.000 H33 H -0.29600 0.53800 -2.25000 1.000 H34 H 2.41200 2.61700 -1.07200 1.000 H35 H 4.62700 -0.61600 0.61500 1.000 H36 H -1.72300 3.63900 1.33800 1.000 H37 H -5.60400 3.10600 3.02000 1.000 H38 H -0.62200 1.40400 0.41900 1.000 H39 H -2.44200 -1.87300 2.09100 1.000 H40 H -4.41000 -3.33300 1.87700 1.000 H41 H -1.17400 -3.03900 -1.83800 1.000 H42 H -3.14900 -4.49200 -2.03100 1.000 H43 H -4.75900 -4.64200 -0.17700 1.000