# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0IV' 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 4.20200 -0.34500 -0.39800 1.000 C1 C 5.23100 -1.36500 0.01800 1.000 C2 C 5.24100 -1.84900 1.31300 1.000 C3 C 6.18500 -2.78400 1.69400 1.000 C4 C 7.11800 -3.23600 0.78000 1.000 C5 C 7.10700 -2.75300 -0.51600 1.000 C6 C 6.16100 -1.82100 -0.89800 1.000 S7 S 4.85000 1.32300 -0.10200 1.000 O8 O 4.96900 1.57300 1.29200 1.000 O9 O 5.92300 1.60600 -0.99100 1.000 N10 N 3.63400 2.33300 -0.59600 1.000 C11 C 2.35300 2.33900 0.11500 1.000 C12 C 1.78700 3.76100 0.13000 1.000 C13 C 0.33800 3.70100 0.62700 1.000 C14 C -0.50900 2.97600 -0.42000 1.000 C15 C 1.39400 1.41400 -0.57700 1.000 O16 O 1.80800 0.34200 -0.96400 1.000 N17 N 0.11100 1.70900 -0.78900 1.000 C18 C -0.72900 0.69600 -1.43300 1.000 C19 C -1.35000 -0.18500 -0.37900 1.000 O20 O -1.11400 0.01400 0.79400 1.000 C21 C -7.34200 -1.03000 -1.45400 1.000 C22 C -7.75800 -0.37600 -0.13300 1.000 N23 N -2.16700 -1.19400 -0.74000 1.000 C24 C -2.77000 -2.05100 0.28400 1.000 C25 C -1.80900 -3.15200 0.64800 1.000 O26 O -0.73000 -3.21600 0.10800 1.000 C27 C -4.06400 -2.66200 -0.25900 1.000 C28 C -6.42800 1.37000 1.00200 1.000 N29 N -6.55100 0.06900 0.57600 1.000 C30 C -6.33300 -2.14500 -1.17100 1.000 C31 C -5.08500 -1.55100 -0.51200 1.000 C32 C -5.47600 -0.90300 0.82000 1.000 N33 N -5.40000 1.72700 1.72000 1.000 N34 N -7.39000 2.29500 0.67300 1.000 H35 H 3.97800 -0.46500 -1.45800 1.000 H36 H 3.29200 -0.48900 0.18400 1.000 H37 H 4.51200 -1.49500 2.02700 1.000 H38 H 6.19300 -3.16100 2.70500 1.000 H39 H 7.85600 -3.96600 1.07700 1.000 H40 H 7.83700 -3.10600 -1.23000 1.000 H41 H 6.15000 -1.44600 -1.91100 1.000 H42 H 3.77000 2.92000 -1.35600 1.000 H43 H 2.50600 2.00000 1.13900 1.000 H44 H 2.37900 4.38500 0.80000 1.000 H45 H 1.81300 4.17700 -0.87700 1.000 H46 H 0.29700 3.15700 1.57000 1.000 H47 H -0.04300 4.71200 0.76800 1.000 H48 H -1.50200 2.78600 -0.01200 1.000 H49 H -0.59800 3.60200 -1.30800 1.000 H50 H -1.51600 1.18600 -2.00600 1.000 H51 H -0.11800 0.08800 -2.10100 1.000 H52 H -8.22000 -1.45000 -1.94500 1.000 H53 H -6.88500 -0.28200 -2.10200 1.000 H54 H -8.40000 0.48100 -0.33600 1.000 H55 H -8.29600 -1.10000 0.48000 1.000 H56 H -2.35600 -1.35400 -1.67900 1.000 H57 H -2.99400 -1.45600 1.16900 1.000 H58 H -3.85500 -3.18300 -1.19400 1.000 H59 H -4.46600 -3.36700 0.46800 1.000 H60 H -6.78100 -2.88000 -0.50300 1.000 H61 H -6.05300 -2.62800 -2.10800 1.000 H62 H -4.65000 -0.79900 -1.16900 1.000 H63 H -4.61200 -0.39300 1.24500 1.000 H64 H -5.82700 -1.67000 1.51000 1.000 H65 H -5.31400 2.64500 2.02100 1.000 H66 H -8.19400 2.01400 0.20800 1.000 H67 H -7.26600 3.22800 0.90500 1.000 H68 H -2.08400 -3.88500 1.39200 1.000