# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P 2.78700 0.32400 -4.40700 1.000 O1 O 3.65900 1.17200 -5.28600 1.000 O2 O 1.19800 0.58800 -4.54800 1.000 O3 O 2.92100 -1.27000 -4.64700 1.000 O4 O 3.06300 0.47600 -2.81900 1.000 C5 C 2.28200 -0.29200 -1.92100 1.000 C6 C 2.72500 0.02300 -0.49800 1.000 O7 O 2.47000 1.42200 -0.24600 1.000 C8 C 1.94000 -0.74200 0.56000 1.000 O9 O 2.74200 -0.80900 1.73900 1.000 C10 C 0.74800 0.16300 0.78600 1.000 O11 O 0.13700 -0.05800 2.04100 1.000 C12 C 1.37300 1.54300 0.67500 1.000 N13 N 0.45200 2.52400 0.17700 1.000 C14 C -0.29900 3.33600 1.05500 1.000 O15 O -0.22500 3.26700 2.28300 1.000 N16 N -1.15700 4.24900 0.43200 1.000 C17 C -1.34000 4.43200 -0.93200 1.000 O18 O -2.11900 5.26000 -1.39600 1.000 C19 C -0.51500 3.53900 -1.79000 1.000 C20 C 0.30900 2.66400 -1.20000 1.000 I21 I -0.66800 3.68200 -3.82700 1.000 H22 H 0.79900 0.61600 -5.44300 1.000 H23 H 2.88600 -1.61700 -5.56300 1.000 H24 H 1.22900 -0.03500 -2.05100 1.000 H25 H 2.42800 -1.35200 -2.13300 1.000 H26 H 3.80400 -0.13900 -0.41000 1.000 H27 H 1.67500 -1.76400 0.27700 1.000 H28 H 3.44700 -0.15300 1.62800 1.000 H29 H -0.00000 0.00400 -0.00000 1.000 H30 H -0.49400 0.66900 2.18500 1.000 H31 H 1.75400 1.91000 1.63300 1.000 H32 H -1.70700 4.84400 1.04600 1.000 H33 H 0.93100 1.99100 -1.78300 1.000