# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FDR' 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 4.27300 0.52000 -0.07100 1.000 O1 O 0.74700 -2.58700 0.05400 1.000 C2 C -3.67600 -0.89800 -0.32600 1.000 C3 C -3.43700 0.56500 0.09600 1.000 C4 C -2.35500 -1.56500 0.10500 1.000 N5 N 1.94200 1.17300 -0.03000 1.000 N6 N 2.41400 -1.10300 -0.00600 1.000 S7 S -0.74900 2.05500 0.01600 1.000 C8 C 2.80200 0.19800 -0.03300 1.000 C9 C -1.92100 0.73900 0.06100 1.000 C10 C -1.31700 -0.44400 0.06600 1.000 C11 C 1.10400 -1.42200 0.02800 1.000 C12 C 0.61000 0.94100 0.00400 1.000 C13 C 0.14400 -0.36300 0.03400 1.000 H14 H 4.40800 1.60200 -0.09200 1.000 H15 H 4.75800 0.11100 0.81500 1.000 H16 H 4.71800 0.08200 -0.96500 1.000 H17 H -4.52300 -1.32600 0.21000 1.000 H18 H -3.81900 -0.97500 -1.40400 1.000 H19 H -3.91300 1.24600 -0.61000 1.000 H20 H -3.81700 0.73700 1.10300 1.000 H21 H -2.44400 -1.96500 1.11500 1.000 H22 H -2.08500 -2.35800 -0.59300 1.000 H23 H 3.08200 -1.80600 -0.01000 1.000