# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C04' 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 -6.43600 -1.09100 -0.13800 1.000 N1 N -2.43700 1.54700 -0.34100 1.000 O2 O -1.02700 2.94200 0.86600 1.000 S3 S 1.41700 -4.46300 0.88400 1.000 C4 C -5.67500 -0.09100 0.31300 1.000 N5 N 0.35800 0.31300 -0.48100 1.000 O6 O 2.24500 1.45400 -0.74000 1.000 S7 S -2.12600 -0.78700 -1.56900 1.000 C8 C -4.37600 0.17400 -0.30200 1.000 N9 N 3.80200 -0.62100 0.15500 1.000 O10 O 4.40700 0.65300 0.02400 1.000 C11 C -3.72200 1.26700 0.13900 1.000 N12 N 0.57500 -2.27100 -0.00500 1.000 O13 O 7.67200 2.28300 0.20400 1.000 C14 C -1.79200 1.00700 -1.56700 1.000 N15 N -1.19000 -3.86700 0.06000 1.000 O16 O 5.60600 2.95500 -0.19900 1.000 C17 C -0.44000 1.41900 -1.01600 1.000 O18 O -4.26500 1.88500 2.43500 1.000 C19 C -1.29400 2.12500 0.01000 1.000 O20 O -4.95600 3.14500 0.74100 1.000 C21 C 1.70100 0.41200 -0.43200 1.000 C22 C 2.51500 -0.75000 -0.00300 1.000 C23 C 5.82200 0.64700 0.22300 1.000 C24 C 6.35800 2.04600 0.06100 1.000 C25 C 1.86700 -2.05500 0.24500 1.000 C26 C 2.53900 -3.11300 0.73900 1.000 C27 C 0.11800 -3.45600 0.25200 1.000 C28 C -3.93000 -0.79900 -1.34400 1.000 C29 C -4.35300 2.15900 1.11800 1.000 H30 H -6.09100 -1.70400 -0.95700 1.000 H31 H -7.39400 -1.29000 0.32000 1.000 H32 H -6.02000 0.52200 1.13300 1.000 H33 H -0.08100 -0.49100 -0.16100 1.000 H34 H 7.96800 3.19600 0.09100 1.000 H35 H -2.08300 1.50500 -2.49200 1.000 H36 H -1.45100 -4.77500 0.27900 1.000 H37 H -1.84700 -3.24700 -0.29400 1.000 H38 H 0.12700 2.08600 -1.66600 1.000 H39 H -4.69700 2.50200 3.04200 1.000 H40 H 6.04700 0.28600 1.22700 1.000 H41 H 6.29000 -0.00900 -0.51200 1.000 H42 H 3.58700 -3.13000 1.00200 1.000 H43 H -4.40600 -0.54500 -2.29100 1.000 H44 H -4.24300 -1.80000 -1.05000 1.000