# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CIR' 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 3.50500 0.29700 -0.03700 1.000 O1 O 4.16500 -0.03600 0.91900 1.000 O2 O 3.88600 1.34600 -0.78300 1.000 C3 C 2.25800 -0.46900 -0.39600 1.000 N4 N 2.30800 -1.80100 0.22100 1.000 C5 C 1.03000 0.28600 0.11900 1.000 C6 C -0.24000 -0.42600 -0.35200 1.000 C7 C -1.46700 0.32900 0.16200 1.000 N8 N -2.68400 -0.35200 -0.28900 1.000 C9 C -3.89400 0.13700 0.04700 1.000 O10 O -3.97600 1.14300 0.72400 1.000 N11 N -5.01200 -0.49000 -0.36800 1.000 H12 H 4.69500 1.80400 -0.51600 1.000 H13 H 2.19400 -0.57200 -1.47900 1.000 H14 H 2.36700 -1.73300 1.22600 1.000 H15 H 1.51300 -2.35800 -0.05700 1.000 H16 H 1.05000 0.31100 1.20800 1.000 H17 H 1.04100 1.30400 -0.26900 1.000 H18 H -0.25900 -0.45200 -1.44200 1.000 H19 H -0.25100 -1.44400 0.03500 1.000 H20 H -1.44800 0.35400 1.25100 1.000 H21 H -1.45700 1.34700 -0.22600 1.000 H22 H -2.61800 -1.15600 -0.82900 1.000 H23 H -4.94700 -1.29300 -0.90800 1.000 H24 H -5.88400 -0.13800 -0.12600 1.000