# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9DS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 2.73200 0.25400 0.73100 1.000 C1 C 3.50700 1.08600 -0.19200 1.000 C2 C 4.75200 0.34700 -0.61000 1.000 O3 O 4.97200 -0.75900 -0.17700 1.000 O4 O 5.61900 0.92000 -1.46000 1.000 C5 C 3.04600 0.25900 2.16200 1.000 S6 S 1.50000 -0.69300 0.15800 1.000 O7 O 1.80300 -0.96400 -1.20400 1.000 O8 O 1.29400 -1.71200 1.12600 1.000 C9 C 0.04100 0.29400 0.15500 1.000 C10 C 0.12800 1.64500 0.29800 1.000 C11 C -1.01500 2.44200 0.29800 1.000 C12 C -2.25200 1.89100 0.15700 1.000 C13 C -2.38100 0.50200 0.00700 1.000 C14 C -1.21900 -0.30900 0.00100 1.000 C15 C -1.34700 -1.70000 -0.15400 1.000 C16 C -2.58000 -2.25700 -0.30100 1.000 C17 C -3.72900 -1.47100 -0.30200 1.000 C18 C -3.64800 -0.10500 -0.14200 1.000 N19 N -4.80400 0.67300 -0.14300 1.000 C20 C -5.48900 0.59500 -1.44000 1.000 C21 C -5.70200 0.28300 0.95100 1.000 H22 H 3.78600 2.01600 0.30300 1.000 H23 H 2.90400 1.31000 -1.07300 1.000 H24 H 3.71000 -0.57400 2.39100 1.000 H25 H 3.53600 1.19700 2.42300 1.000 H26 H 2.12500 0.15900 2.73700 1.000 H27 H 1.09800 2.10600 0.41200 1.000 H28 H -0.91800 3.51100 0.41300 1.000 H29 H -3.13000 2.52000 0.16000 1.000 H30 H -0.46700 -2.32600 -0.15500 1.000 H31 H -2.66800 -3.32700 -0.42000 1.000 H32 H -4.69500 -1.93900 -0.42100 1.000 H33 H -5.19200 0.41700 1.90500 1.000 H34 H -6.59600 0.90600 0.92700 1.000 H35 H -5.98400 -0.76300 0.83400 1.000 H36 H -5.76400 -0.44000 -1.64400 1.000 H37 H -6.38800 1.21100 -1.41400 1.000 H38 H -4.82400 0.95500 -2.22500 1.000 H39 H 6.40500 0.40900 -1.69600 1.000