# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '931' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F0 F 1.42700 1.17300 2.24700 1.000 C1 C 2.33600 1.03300 1.25700 1.000 C2 C 3.45300 0.24000 1.44900 1.000 C3 C 7.28700 -1.05300 -1.03000 1.000 N4 N 6.77600 -0.14200 0.01600 1.000 C5 C 4.38300 0.09700 0.43600 1.000 C6 C 4.20000 0.74500 -0.77100 1.000 C7 C 3.08700 1.53800 -0.97000 1.000 C8 C 2.14700 1.68000 0.04100 1.000 N9 N 1.01500 2.47900 -0.16000 1.000 C10 C -0.15300 2.02900 -0.65300 1.000 O11 O -0.37400 0.88100 -0.97600 1.000 C12 C 0.94700 3.91300 0.14600 1.000 C13 C -0.28500 4.44000 -0.62200 1.000 C14 C -1.15000 3.16300 -0.74400 1.000 N15 N -2.11100 3.09100 0.35900 1.000 S16 S -3.58200 2.36600 0.13100 1.000 C17 C 5.39300 -2.14000 -0.02500 1.000 O18 O -4.25800 2.42800 1.37900 1.000 O19 O -4.11500 2.91000 -1.06900 1.000 C20 C -3.27900 0.66000 -0.18800 1.000 C21 C 6.79700 -2.45900 -0.60400 1.000 C22 C -3.23100 -0.21800 0.85100 1.000 C23 C -3.09700 0.22900 -1.50100 1.000 C24 C -2.86200 -1.08200 -1.78100 1.000 C25 C -2.80100 -2.01700 -0.73400 1.000 C26 C -2.56000 -3.37900 -0.98500 1.000 C27 C -2.50800 -4.25600 0.05500 1.000 Cl28 Cl -2.21000 -5.93800 -0.25900 1.000 C29 C -2.99000 -1.57900 0.60000 1.000 C30 C -2.93500 -2.51500 1.64800 1.000 C31 C -2.69000 -3.82400 1.36800 1.000 C32 C 5.60000 -0.76700 0.64900 1.000 H33 H 3.59900 -0.26700 2.39200 1.000 H34 H 6.87300 -0.78500 -2.00200 1.000 H35 H 8.37600 -1.02400 -1.05900 1.000 H36 H 7.49000 0.06000 0.70000 1.000 H37 H 6.72200 -3.12400 -1.46500 1.000 H38 H 7.44700 -2.88500 0.16100 1.000 H39 H 5.77900 -0.89900 1.71600 1.000 H40 H 4.92900 0.63100 -1.56000 1.000 H41 H 2.94600 2.04400 -1.91400 1.000 H42 H 0.81700 4.06400 1.21700 1.000 H43 H 1.85100 4.41500 -0.20000 1.000 H44 H -1.66700 3.13900 -1.70400 1.000 H45 H -0.80400 5.20700 -0.04700 1.000 H46 H -0.00100 4.81700 -1.60500 1.000 H47 H -1.88500 3.46800 1.22400 1.000 H48 H 4.65400 -2.07000 -0.82300 1.000 H49 H 5.09900 -2.88900 0.71000 1.000 H50 H -3.37800 0.13000 1.86300 1.000 H51 H -3.14400 0.94600 -2.30700 1.000 H52 H -2.72300 -1.40200 -2.80400 1.000 H53 H -2.41800 -3.72700 -1.99800 1.000 H54 H -2.64400 -4.54100 2.17500 1.000 H55 H -3.07800 -2.19600 2.66900 1.000