# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0GS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br0 Br 6.24600 -2.19300 -0.73500 1.000 C1 C 5.37900 -0.76100 0.14400 1.000 C2 C 6.04700 0.44000 0.34200 1.000 C3 C 5.40600 1.49100 0.98800 1.000 C4 C 4.10500 1.33600 1.43200 1.000 C5 C 3.44300 0.13800 1.23300 1.000 C6 C 4.07700 -0.90600 0.58600 1.000 C7 C 2.02600 -0.02700 1.71700 1.000 C8 C 1.05600 0.39900 0.61300 1.000 C9 C -0.37500 0.11000 1.05600 1.000 C10 C -1.34500 0.28600 -0.10900 1.000 C11 C -1.46200 1.76900 -0.47200 1.000 S12 S 0.15300 2.36500 -1.05200 1.000 C13 C 1.22500 1.89500 0.33800 1.000 O14 O 0.11100 3.78300 -1.13600 1.000 O15 O 0.53200 1.61100 -2.19500 1.000 N16 N -2.66700 -0.22500 0.27600 1.000 C17 C -3.44000 -0.62800 -0.90700 1.000 C18 C -4.78700 -1.14600 -0.47400 1.000 C19 C -5.85700 -0.27800 -0.35600 1.000 C20 C -7.09200 -0.75400 0.04100 1.000 C21 C -7.25800 -2.09800 0.32100 1.000 C22 C -6.18900 -2.96500 0.20400 1.000 C23 C -4.95500 -2.49100 -0.19900 1.000 C24 C -8.25800 0.19200 0.16900 1.000 F25 F -8.10900 1.24200 -0.74400 1.000 F26 F -9.44700 -0.49400 -0.09800 1.000 C27 C -8.30300 0.75600 1.59000 1.000 O28 O -0.45700 -1.23300 1.53700 1.000 F29 F 6.05200 2.66100 1.18400 1.000 N30 N 7.36300 0.59300 -0.10800 1.000 H31 H 3.60600 2.15100 1.93400 1.000 H32 H 3.55500 -1.83900 0.42800 1.000 H33 H 1.84900 -1.07100 1.97300 1.000 H34 H 1.86800 0.59500 2.59800 1.000 H35 H 1.27400 -0.16300 -0.29600 1.000 H36 H -0.64800 0.79600 1.85700 1.000 H37 H -0.97900 -0.26900 -0.97200 1.000 H38 H -2.20200 1.89200 -1.26200 1.000 H39 H -1.76600 2.33700 0.40700 1.000 H40 H 0.94400 2.46400 1.22400 1.000 H41 H 2.26400 2.10200 0.08400 1.000 H42 H -3.17200 0.45400 0.82400 1.000 H43 H -3.57500 0.23200 -1.56300 1.000 H44 H -2.90400 -1.41200 -1.44200 1.000 H45 H -5.72700 0.77100 -0.57500 1.000 H46 H -8.22400 -2.46900 0.63200 1.000 H47 H -6.31900 -4.01500 0.42300 1.000 H48 H -4.12000 -3.17000 -0.29500 1.000 H49 H -7.37600 1.29100 1.79900 1.000 H50 H -9.14600 1.44100 1.68300 1.000 H51 H -8.41900 -0.06100 2.30200 1.000 H52 H -1.33900 -1.49000 1.83700 1.000 H53 H 7.81000 -0.14100 -0.55800 1.000 H54 H 7.82900 1.43200 0.03100 1.000