# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5SC' 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 2.22800 2.28900 0.03200 1.000 C1 C 1.61200 1.04600 -0.05100 1.000 N2 N 0.26100 1.27600 -0.11600 1.000 N3 N 0.06300 2.66100 -0.07200 1.000 C4 C 1.23100 3.25400 0.02200 1.000 N5 N 2.09500 -0.20200 -0.07500 1.000 C6 C 1.28300 -1.24400 -0.16100 1.000 C7 C -0.10800 -1.05100 -0.23000 1.000 C8 C -0.60900 0.21900 -0.20600 1.000 N9 N -1.96900 0.43600 -0.27100 1.000 C10 C 1.84200 -2.61600 -0.18500 1.000 C11 C -2.88900 -0.70000 -0.36800 1.000 C12 C -4.30700 -0.19500 -0.42500 1.000 C13 C -5.02900 -0.00300 0.73800 1.000 N14 N -6.27000 0.44400 0.69600 1.000 C15 C -6.86800 0.72300 -0.44700 1.000 C16 C -6.20800 0.55500 -1.65000 1.000 C17 C -4.90300 0.08800 -1.64500 1.000 C18 C 1.57900 -3.49800 0.86200 1.000 C19 C 2.10100 -4.77500 0.83400 1.000 C20 C 2.88400 -5.18100 -0.23200 1.000 C21 C 3.14800 -4.31100 -1.27400 1.000 C22 C 2.62700 -3.03300 -1.26000 1.000 Br23 Br 4.08900 2.60700 0.14700 1.000 C24 C 0.72600 -3.05600 2.02400 1.000 O25 O -6.97800 0.62700 1.90800 1.000 H26 H 1.39000 4.32100 0.07500 1.000 H27 H -0.77400 -1.89900 -0.30100 1.000 H28 H -2.31700 1.34200 -0.25400 1.000 H29 H -2.66900 -1.27000 -1.27000 1.000 H30 H -2.76600 -1.34100 0.50500 1.000 H31 H -4.57200 -0.22100 1.69200 1.000 H32 H -7.88500 1.08600 -0.44200 1.000 H33 H -6.70300 0.78500 -2.58200 1.000 H34 H -4.36100 -0.04800 -2.56900 1.000 H35 H 1.89800 -5.45800 1.64500 1.000 H36 H 3.29100 -6.18100 -0.25000 1.000 H37 H 3.76100 -4.63300 -2.10400 1.000 H38 H 2.83400 -2.35500 -2.07400 1.000 H39 H -0.32600 -3.19500 1.77600 1.000 H40 H 0.97300 -3.65200 2.90300 1.000 H41 H 0.91400 -2.00300 2.23400 1.000