# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96G' 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 -1.61700 2.28500 -0.31600 1.000 C1 C 3.20100 0.69400 -0.12700 1.000 C2 C -3.36500 0.80000 -0.92000 1.000 C3 C 1.60600 2.62000 0.08700 1.000 C4 C -4.31000 -1.39400 -0.32100 1.000 C5 C -4.92300 -0.74600 -1.31400 1.000 C6 C 3.42000 1.71400 -0.98000 1.000 C7 C 2.53900 2.76900 -0.85600 1.000 C8 C 4.00400 -0.54500 -0.05300 1.000 C9 C 3.68200 -1.53200 0.88000 1.000 C10 C 5.08100 -0.73300 -0.92000 1.000 C11 C 5.50800 -2.86800 0.08500 1.000 C12 C 5.82800 -1.89000 -0.84800 1.000 C13 C 4.43400 -2.68700 0.94500 1.000 C14 C 7.33700 -4.12800 -0.76200 1.000 N15 N -4.39800 0.42900 -1.61000 1.000 N16 N -0.95600 3.44700 -0.48200 1.000 N17 N -2.68300 2.00000 -1.09100 1.000 O18 O -0.04400 3.54100 1.81000 1.000 O19 O 0.84100 5.05900 0.03200 1.000 O20 O -1.24900 1.49100 0.52800 1.000 O21 O 6.24600 -4.00700 0.15200 1.000 S22 S 0.35300 3.79800 0.47000 1.000 S23 S -2.96700 -0.39700 0.23300 1.000 S24 S 1.81600 1.06900 0.89100 1.000 Br25 Br -4.79300 -3.08800 0.36500 1.000 H26 H -5.78400 -1.14700 -1.82900 1.000 H27 H 4.22300 1.70700 -1.70300 1.000 H28 H 2.60000 3.65100 -1.47700 1.000 H29 H 2.84700 -1.39200 1.54900 1.000 H30 H 5.33000 0.02600 -1.64600 1.000 H31 H 6.66200 -2.03700 -1.51800 1.000 H32 H 4.18800 -3.44900 1.67000 1.000 H33 H 7.84100 -5.08200 -0.60200 1.000 H34 H 6.96100 -4.08300 -1.78400 1.000 H35 H 8.04200 -3.31300 -0.59700 1.000 H36 H -1.24700 4.07900 -1.15800 1.000 H37 H -2.97400 2.63100 -1.76700 1.000