# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5UE' 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 -3.92400 1.98300 -0.17900 1.000 C1 C 3.78000 1.71700 0.80800 1.000 C2 C 3.60200 0.69600 -0.31700 1.000 C3 C 2.25900 0.02700 -0.18000 1.000 O4 O 2.19300 -1.17500 -0.02800 1.000 N5 N 1.13100 0.76300 -0.22800 1.000 C6 C -0.10700 0.14600 -0.10100 1.000 N7 N -1.24800 0.75500 -0.13200 1.000 C8 C -2.32700 -0.02400 0.00800 1.000 C9 C -2.05300 -1.35100 0.16300 1.000 S10 S -0.35900 -1.58100 0.11600 1.000 C11 C -3.69100 0.50500 -0.00400 1.000 O12 O -4.63500 -0.24700 0.12800 1.000 N13 N 4.66400 -0.31500 -0.23300 1.000 H14 H -4.02100 2.21300 -1.24000 1.000 H15 H -4.83900 2.27100 0.34000 1.000 H16 H -3.08200 2.53600 0.23600 1.000 H17 H 3.72300 1.21000 1.77100 1.000 H18 H 4.75200 2.20100 0.70900 1.000 H19 H 2.99200 2.46800 0.74600 1.000 H20 H 3.65900 1.20300 -1.28000 1.000 H21 H 1.18400 1.72400 -0.35000 1.000 H22 H -2.78800 -2.13200 0.29000 1.000 H23 H 4.61100 -0.78500 0.65900 1.000 H24 H 4.54700 -0.98900 -0.97500 1.000 H25 H 5.56300 0.13300 -0.32400 1.000