# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C8S' 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 -2.06600 0.78300 -1.29900 1.000 C1 C -3.26900 0.85900 -0.35800 1.000 C2 C -0.90600 0.08200 -0.58900 1.000 C3 C -2.88700 1.64800 0.89600 1.000 C4 C -0.52400 0.87100 0.66500 1.000 C5 C -1.72700 0.94700 1.60600 1.000 C6 C -1.33200 -1.33300 -0.19100 1.000 N7 N -0.02300 -0.87100 -2.66500 1.000 C8 C -2.53600 -1.25700 0.75000 1.000 C9 C -3.69500 -0.55500 0.04000 1.000 C10 C -2.15400 -0.46800 2.00400 1.000 C11 C 0.29800 0.00600 -1.53100 1.000 O12 O -4.35200 1.51400 -1.02100 1.000 C13 C 1.48400 -0.55000 -0.78600 1.000 C14 C 3.79300 -0.14000 0.17200 1.000 N15 N 2.51200 0.25700 -0.45700 1.000 C16 C 4.07100 1.01300 1.16900 1.000 C17 C 2.59200 1.71800 -0.65000 1.000 C18 C 3.58100 2.26000 0.39900 1.000 C19 C 2.09800 2.62300 0.48100 1.000 O20 O 1.51400 -1.72400 -0.48200 1.000 O21 O -2.93400 -2.57800 1.12200 1.000 C22 C 3.64000 -1.47000 0.91400 1.000 N23 N 3.54300 -2.56500 -0.06000 1.000 H24 H -2.33800 0.22100 -2.19300 1.000 H25 H -1.76200 1.79100 -1.58300 1.000 H26 H -2.58300 2.65600 0.61300 1.000 H27 H -3.74400 1.70200 1.56700 1.000 H28 H 0.30300 0.37100 1.17100 1.000 H29 H -0.22000 1.87900 0.38100 1.000 H30 H -1.45500 1.50900 2.49900 1.000 H31 H -1.60400 -1.89500 -1.08400 1.000 H32 H -0.50600 -1.83200 0.31500 1.000 H33 H -0.24600 -1.80300 -2.35000 1.000 H34 H -0.77400 -0.48600 -3.21800 1.000 H35 H -4.55300 -0.50200 0.71100 1.000 H36 H -3.96800 -1.11800 -0.85300 1.000 H37 H -1.32700 -0.96700 2.51000 1.000 H38 H -3.01100 -0.41400 2.67500 1.000 H39 H 0.53500 1.00400 -1.89800 1.000 H40 H -5.15100 1.59800 -0.48200 1.000 H41 H 4.58600 -0.20500 -0.57200 1.000 H42 H 3.49900 0.87600 2.08700 1.000 H43 H 5.13700 1.08700 1.38500 1.000 H44 H 2.59600 2.08800 -1.67500 1.000 H45 H 4.31900 3.02300 0.15100 1.000 H46 H 1.81500 3.64300 0.22100 1.000 H47 H 1.51000 2.16100 1.27500 1.000 H48 H -3.69400 -2.60600 1.72000 1.000 H49 H 4.50700 -1.63000 1.55500 1.000 H50 H 2.73700 -1.44500 1.52300 1.000 H51 H 4.40500 -2.67100 -0.57300 1.000 H52 H 3.28300 -3.42900 0.39200 1.000