# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0XS' 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 -0.06700 1.26500 0.00500 1.000 C1 C -2.64100 -1.47500 -0.01100 1.000 C2 C 1.10600 0.48900 0.00200 1.000 C3 C 1.00000 -0.92500 -0.00400 1.000 C4 C 2.37600 1.08900 0.00500 1.000 C5 C 3.49000 0.26000 0.00200 1.000 C6 C 3.30800 -1.14300 -0.00400 1.000 O7 O 5.81700 0.10800 0.11100 1.000 C8 C 4.84800 0.83500 0.00400 1.000 N9 N 5.01600 2.16800 -0.11200 1.000 C10 C -1.27100 0.61600 0.00200 1.000 Br11 Br -2.88300 1.60500 0.01400 1.000 N12 N 4.41600 -1.96900 -0.00700 1.000 N13 N 2.10600 -1.67900 -0.00600 1.000 N14 N -0.20900 -1.49500 -0.00600 1.000 C15 C -1.30600 -0.77600 -0.00900 1.000 F16 F -2.44500 -2.85500 0.10600 1.000 F17 F -3.40800 -1.02000 1.06800 1.000 F18 F -3.31000 -1.19900 -1.20800 1.000 H19 H -0.01800 2.34400 0.01400 1.000 H20 H 2.48300 2.16400 0.00900 1.000 H21 H 5.90900 2.54600 -0.11100 1.000 H22 H 4.24300 2.74800 -0.19800 1.000 H23 H 4.30500 -2.92800 -0.09200 1.000 H24 H 5.30400 -1.58800 0.07700 1.000