# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99U' 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 1.69900 2.64400 0.67000 1.000 C1 C -3.75300 0.70100 -2.41600 1.000 C2 C -4.32300 1.68600 -1.36100 1.000 C3 C -3.59100 1.26800 -0.06800 1.000 C4 C 1.44700 0.34100 0.15800 1.000 C5 C 2.15200 -0.75900 -0.32100 1.000 N6 N 3.44700 -0.32600 -0.58000 1.000 C7 C 3.57200 0.99400 -0.28100 1.000 C8 C 0.10200 0.33400 0.52700 1.000 C9 C -0.58400 -0.88800 0.41500 1.000 C10 C 0.10000 -1.98000 -0.04300 1.000 C11 C 1.44300 -1.94100 -0.41800 1.000 C12 C 2.27400 1.47300 0.20900 1.000 C13 C 0.35800 2.65100 1.05200 1.000 C14 C -0.44300 1.54200 0.99300 1.000 O15 O 4.58300 1.66100 -0.39900 1.000 C16 C 4.52400 -1.17200 -1.10100 1.000 S17 S -2.28600 -1.00900 0.85500 1.000 O18 O -2.65700 -2.36600 0.65200 1.000 O19 O -2.42600 -0.34300 2.10200 1.000 N20 N -3.14200 -0.12000 -0.24900 1.000 C21 C -3.58100 -0.58900 -1.57600 1.000 C22 C 5.28200 -1.80800 0.06600 1.000 H23 H 2.28600 3.54800 0.73700 1.000 H24 H -4.46300 0.54600 -3.22900 1.000 H25 H -2.79400 1.05000 -2.79800 1.000 H26 H -4.08300 2.71600 -1.62500 1.000 H27 H -5.40000 1.55800 -1.25600 1.000 H28 H -2.73100 1.91800 0.09700 1.000 H29 H -4.27200 1.33200 0.78100 1.000 H30 H -0.42900 -2.91800 -0.12900 1.000 H31 H 1.92900 -2.83400 -0.78200 1.000 H32 H -0.06900 3.57500 1.41300 1.000 H33 H -1.47900 1.59700 1.29300 1.000 H34 H 4.09900 -1.95600 -1.72800 1.000 H35 H 5.20900 -0.56500 -1.69200 1.000 H36 H -4.53000 -1.12000 -1.49600 1.000 H37 H -2.82200 -1.23300 -2.02100 1.000 H38 H 5.70700 -1.02400 0.69300 1.000 H39 H 4.59700 -2.41500 0.65800 1.000 H40 H 6.08400 -2.43700 -0.32100 1.000