# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '03I' 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 -1.11600 0.69500 0.06100 1.000 C1 C -1.63000 1.61300 0.97600 1.000 C2 C -2.98600 1.65100 1.22500 1.000 C3 C -3.83900 0.77500 0.56600 1.000 C4 C -3.33000 -0.14000 -0.34500 1.000 C5 C -1.97500 -0.18200 -0.59900 1.000 O6 O -5.17400 0.81400 0.81400 1.000 C7 C 0.34100 0.65600 -0.21400 1.000 C8 C 1.20100 1.53300 0.44500 1.000 C9 C 2.55600 1.49200 0.18600 1.000 C10 C 3.06100 0.58300 -0.72700 1.000 C11 C 2.21200 -0.28900 -1.38400 1.000 C12 C 0.85600 -0.26100 -1.12800 1.000 C13 C 4.54100 0.54400 -1.00600 1.000 C14 C 5.21600 -0.43500 -0.04300 1.000 C15 C 6.69100 -0.58500 -0.41900 1.000 C16 C 7.32000 -1.65900 0.43100 1.000 S17 S 7.55000 0.98800 -0.13700 1.000 C18 C 7.40500 1.17700 1.66100 1.000 O19 O 8.92200 0.82100 -0.46600 1.000 O20 O 6.80800 2.02700 -0.76200 1.000 C21 C 6.80500 -0.97100 -1.89500 1.000 N22 N 8.66200 -1.76500 0.50000 1.000 O23 O 6.61800 -2.42800 1.05300 1.000 C24 C -5.99400 -0.11400 0.10100 1.000 C25 C -7.45600 0.07900 0.50900 1.000 C26 C -8.33300 -0.91500 -0.25400 1.000 O27 O 9.25200 -2.77400 1.29900 1.000 N28 N -9.73700 -0.73000 0.13700 1.000 C29 C -10.57800 -1.81500 -0.38900 1.000 C30 C -12.01800 -1.61500 0.09100 1.000 O31 O -12.47800 -0.32500 -0.32000 1.000 C32 C -11.68200 0.75500 0.17600 1.000 C33 C -10.23900 0.57900 -0.30400 1.000 H34 H -0.96700 2.29400 1.48900 1.000 H35 H -3.38500 2.36100 1.93400 1.000 H36 H -3.99600 -0.81900 -0.85700 1.000 H37 H -1.58000 -0.89200 -1.31100 1.000 H38 H 0.80800 2.24300 1.15800 1.000 H39 H 3.22300 2.17100 0.69600 1.000 H40 H 2.61200 -0.99600 -2.09600 1.000 H41 H 0.19500 -0.94600 -1.63800 1.000 H42 H 4.70900 0.21800 -2.03200 1.000 H43 H 4.96400 1.53900 -0.86800 1.000 H44 H 5.13700 -0.05500 0.97600 1.000 H45 H 4.72400 -1.40600 -0.10800 1.000 H46 H 7.88600 0.33300 2.15500 1.000 H47 H 7.89100 2.10300 1.96900 1.000 H48 H 6.35200 1.20900 1.94000 1.000 H49 H 6.35100 -0.19400 -2.51000 1.000 H50 H 7.85600 -1.07700 -2.16200 1.000 H51 H 6.29000 -1.91600 -2.06400 1.000 H52 H 9.22300 -1.15000 0.00200 1.000 H53 H -5.89000 0.05700 -0.97000 1.000 H54 H -5.68100 -1.13100 0.33900 1.000 H55 H -7.56000 -0.09300 1.58100 1.000 H56 H -7.76800 1.09600 0.27200 1.000 H57 H -8.22900 -0.74400 -1.32500 1.000 H58 H -8.02100 -1.93200 -0.01700 1.000 H59 H 10.21900 -2.77200 1.28500 1.000 H60 H -10.55200 -1.79900 -1.47900 1.000 H61 H -10.20400 -2.77300 -0.03000 1.000 H62 H -12.65700 -2.38500 -0.34400 1.000 H63 H -12.05300 -1.68600 1.17800 1.000 H64 H -12.07700 1.69900 -0.19800 1.000 H65 H -11.70700 0.75400 1.26500 1.000 H66 H -9.61700 1.36800 0.11900 1.000 H67 H -10.20800 0.63300 -1.39200 1.000