# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0RO' 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 7.14400 1.00000 0.49500 1.000 C1 C 6.01700 0.62000 -0.46700 1.000 C2 C 6.58800 0.06100 -1.77100 1.000 S3 S 4.88900 -0.58300 0.30800 1.000 C4 C 5.10800 1.82800 -0.74200 1.000 N5 N 3.75400 1.57600 -0.30500 1.000 C6 C 3.45500 0.44900 0.23400 1.000 N7 N 2.20500 0.09600 0.68700 1.000 C8 C 1.96600 -1.22100 1.29600 1.000 C9 C 0.76200 -1.86700 0.60200 1.000 C10 C 1.07300 1.02900 0.58000 1.000 C11 C -0.09800 0.30000 -0.08700 1.000 N12 N -0.38000 -0.94400 0.65000 1.000 C13 C -1.52900 -1.55300 0.17900 1.000 N14 N -1.50300 -2.81100 -0.23400 1.000 C15 C -2.59300 -3.40500 -0.68700 1.000 N16 N -3.75000 -2.78800 -0.75200 1.000 C17 C -3.87600 -1.51500 -0.35700 1.000 S18 S -5.26900 -0.44400 -0.32700 1.000 C19 C -2.75500 -0.84100 0.13600 1.000 C20 C -3.06800 0.52100 0.52400 1.000 C21 C -4.32400 0.87700 0.33500 1.000 C22 C -4.87900 2.23900 0.66200 1.000 C23 C -4.73900 3.15300 -0.55600 1.000 C24 C -5.30300 4.53600 -0.22400 1.000 H25 H 7.72600 0.11200 0.74300 1.000 H26 H 7.79200 1.73800 0.02300 1.000 H27 H 6.71800 1.42000 1.40600 1.000 H28 H 5.77200 -0.17800 -2.45300 1.000 H29 H 7.23900 0.80500 -2.23100 1.000 H30 H 7.16100 -0.84200 -1.56000 1.000 H31 H 5.49900 2.69700 -0.21300 1.000 H32 H 5.10400 2.03500 -1.81300 1.000 H33 H 2.84600 -1.85000 1.16400 1.000 H34 H 1.75500 -1.10000 2.35900 1.000 H35 H 1.01300 -2.08200 -0.43600 1.000 H36 H 0.50200 -2.79400 1.11300 1.000 H37 H 0.77800 1.36200 1.57500 1.000 H38 H 1.36300 1.89000 -0.02300 1.000 H39 H -0.98000 0.94000 -0.07500 1.000 H40 H 0.16300 0.05900 -1.11800 1.000 H41 H -2.53000 -4.43200 -1.01400 1.000 H42 H -2.32600 1.19700 0.92400 1.000 H43 H -5.93200 2.14700 0.92800 1.000 H44 H -4.32800 2.66400 1.50100 1.000 H45 H -3.68500 3.24500 -0.82200 1.000 H46 H -5.29000 2.72800 -1.39500 1.000 H47 H -4.75200 4.96100 0.61500 1.000 H48 H -5.20300 5.18800 -1.09200 1.000 H49 H -6.35600 4.44500 0.04200 1.000