# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5H' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 4.50000 -0.34900 -0.28600 1.000 O1 O 5.82900 -0.28300 0.21200 1.000 O2 O 4.10600 -0.97600 -1.49900 1.000 N3 N 3.60800 -1.07500 0.90600 1.000 C4 C 3.95200 1.32100 -0.41000 1.000 C5 C 2.92400 1.64900 -1.27400 1.000 C6 C 2.49200 2.95900 -1.36900 1.000 C7 C 3.09300 3.94200 -0.60600 1.000 C8 C 4.12500 3.61500 0.25500 1.000 C9 C 4.55400 2.30500 0.35200 1.000 C10 C -0.59900 0.81000 0.26100 1.000 C11 C -2.09100 0.63300 0.14600 1.000 C12 C -2.62000 -0.11900 -0.88700 1.000 C13 C -3.98800 -0.28700 -0.98900 1.000 C14 C -4.30000 1.06000 0.96700 1.000 C15 C -4.82900 0.30800 -0.06600 1.000 Br16 Br -6.70100 0.08600 -0.21100 1.000 N17 N 2.21400 -1.15100 0.79000 1.000 C18 C 1.68100 -2.22600 0.18000 1.000 C19 C -0.01800 -0.31300 1.12200 1.000 C20 C 1.48800 -0.16200 1.28600 1.000 C21 C -2.93100 1.22200 1.07300 1.000 S22 S -0.07900 -1.92700 0.24600 1.000 S23 S 2.49900 -3.56600 -0.50200 1.000 O24 O 1.98800 0.79800 1.83200 1.000 H25 H 4.05100 -1.44800 1.68400 1.000 H26 H 2.45400 0.88100 -1.87100 1.000 H27 H 1.68600 3.21400 -2.04000 1.000 H28 H 2.75700 4.96500 -0.68100 1.000 H29 H 4.59500 4.38300 0.85100 1.000 H30 H 5.36000 2.04900 1.02400 1.000 H31 H -0.15200 0.77600 -0.73200 1.000 H32 H -0.38200 1.77200 0.72400 1.000 H33 H -1.96400 -0.57900 -1.61100 1.000 H34 H -4.40100 -0.87500 -1.79600 1.000 H35 H -4.95500 1.52100 1.69100 1.000 H36 H -0.51800 -0.36800 2.08900 1.000 H37 H -2.51700 1.81000 1.87900 1.000