# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FRJ' 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 2.44400 -1.17700 5.87500 1.000 S1 S 2.30000 0.16500 6.31400 1.000 O2 O 3.30500 1.16700 6.24000 1.000 N3 N 1.87200 0.07300 7.91100 1.000 C4 C 0.79600 -0.71000 8.29600 1.000 N5 N -0.00400 -1.44500 7.54800 1.000 C6 C -0.98900 -2.14200 8.08200 1.000 C7 C -1.17000 -2.08000 9.42200 1.000 S8 S 0.15200 -0.97300 9.88700 1.000 C9 C 0.91600 0.81000 5.43400 1.000 C10 C 0.78200 2.17600 5.26300 1.000 C11 C -0.30000 2.68400 4.57400 1.000 C12 C -0.03300 -0.05000 4.91600 1.000 C13 C -1.12200 0.45100 4.23000 1.000 C14 C -1.25600 1.82200 4.05200 1.000 N15 N -2.35300 2.33300 3.35500 1.000 S16 S -3.10500 1.41100 2.20300 1.000 O17 O -4.03400 2.27500 1.56200 1.000 O18 O -3.42900 0.18400 2.84200 1.000 C19 C -1.90100 1.01000 0.98000 1.000 C20 C -1.64700 1.90100 -0.05000 1.000 C21 C -1.22100 -0.18600 1.05900 1.000 C22 C -0.27100 -0.50800 0.09800 1.000 O23 O 0.53100 -1.57800 -0.08100 1.000 C24 C -0.01600 0.39400 -0.94400 1.000 C25 C -0.70800 1.59900 -1.01300 1.000 C26 C 1.03000 -0.24100 -1.76800 1.000 C27 C 1.29500 -1.43600 -1.17000 1.000 C28 C 2.30200 -2.44500 -1.65900 1.000 C29 C 3.67300 -2.12900 -1.06000 1.000 C30 C 1.65500 0.30100 -2.98300 1.000 O31 O 2.69700 0.92500 -2.90500 1.000 C32 C 1.01800 0.08900 -4.29800 1.000 C33 C -0.10500 -0.73300 -4.40800 1.000 C34 C -0.70000 -0.92400 -5.63600 1.000 Br35 Br -2.22500 -2.03100 -5.78500 1.000 C36 C -0.17600 -0.30700 -6.76800 1.000 O37 O -0.76100 -0.50200 -7.97700 1.000 C38 C 0.94500 0.50700 -6.66300 1.000 C39 C 1.54200 0.70700 -5.43700 1.000 Br40 Br 1.65300 1.34200 -8.20500 1.000 H41 H 2.37400 0.56900 8.57700 1.000 H42 H -1.63800 -2.74500 7.46400 1.000 H43 H -1.91100 -2.56700 10.04000 1.000 H44 H 1.52600 2.84600 5.66900 1.000 H45 H -0.40400 3.75100 4.44100 1.000 H46 H 0.07300 -1.11600 5.05100 1.000 H47 H -1.86300 -0.22100 3.82600 1.000 H48 H -2.67500 3.22900 3.54500 1.000 H49 H -2.18700 2.83500 -0.09900 1.000 H50 H -1.42800 -0.87300 1.86600 1.000 H51 H -0.51000 2.29300 -1.81600 1.000 H52 H 2.36200 -2.40100 -2.74700 1.000 H53 H 1.99300 -3.44500 -1.35300 1.000 H54 H 4.40200 -2.85800 -1.41300 1.000 H55 H 3.98200 -1.12900 -1.36600 1.000 H56 H 3.61300 -2.17300 0.02700 1.000 H57 H -0.51200 -1.21200 -3.53000 1.000 H58 H -0.33600 -1.27500 -8.37200 1.000 H59 H 2.41300 1.34000 -5.35700 1.000