# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95S' 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 -0.44900 1.85700 0.08400 1.000 C1 C 3.54900 1.25300 -1.12100 1.000 C2 C 3.75800 -0.93600 -0.47800 1.000 C3 C -2.59300 0.89000 -0.21800 1.000 C4 C 2.77100 1.32800 -0.03900 1.000 C5 C -3.39800 -0.94800 0.75600 1.000 C6 C -4.48400 -0.66900 0.03200 1.000 C7 C 4.09000 0.00300 -1.36400 1.000 C8 C 4.21600 -2.37100 -0.51900 1.000 C9 C 4.98800 -0.27600 -2.54300 1.000 C10 C 5.52300 -2.51200 0.26400 1.000 C11 C 7.17600 -4.11500 0.93000 1.000 N12 N -2.40100 -0.09500 0.60100 1.000 N13 N 0.45800 2.81100 -0.20200 1.000 N14 N -1.65900 1.87800 -0.50900 1.000 O15 O 1.71400 2.59900 1.91100 1.000 O16 O 2.67300 3.88300 -0.00700 1.000 O17 O -0.17500 0.97400 0.87400 1.000 O18 O 5.95700 -3.87300 0.22400 1.000 S19 S 1.94700 2.78100 0.52100 1.000 S20 S -4.16000 0.79400 -0.89500 1.000 S21 S 2.69400 -0.24600 0.74200 1.000 Br22 Br -6.08800 -1.66900 0.00500 1.000 H23 H 3.73700 2.10300 -1.76000 1.000 H24 H -3.33900 -1.80200 1.41500 1.000 H25 H 3.45300 -3.00900 -0.07200 1.000 H26 H 4.37800 -2.67100 -1.55500 1.000 H27 H 6.02500 -0.09800 -2.25900 1.000 H28 H 4.86900 -1.31400 -2.85200 1.000 H29 H 4.71900 0.38300 -3.36800 1.000 H30 H 6.28500 -1.87500 -0.18400 1.000 H31 H 5.36000 -2.21300 1.29900 1.000 H32 H 7.43700 -5.17000 0.85200 1.000 H33 H 7.97300 -3.51000 0.49600 1.000 H34 H 7.04800 -3.84900 1.97900 1.000 H35 H 0.23900 3.51500 -0.83200 1.000 H36 H -1.87800 2.58200 -1.13900 1.000