# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0X9' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -2.94500 1.90400 -0.77900 1.000 C1 C -2.03600 2.01600 0.00900 1.000 O2 O -1.87500 3.16300 0.68800 1.000 C3 C -1.08800 0.86700 0.23500 1.000 N4 N -1.47900 -0.26200 -0.61300 1.000 S5 S -2.44700 -1.45900 -0.00400 1.000 O6 O -1.88100 -1.83700 1.24300 1.000 N7 N -3.91600 -0.77400 0.33800 1.000 O8 O -2.67000 -2.37500 -1.06700 1.000 C9 C 0.33500 1.30300 -0.12000 1.000 C10 C 1.31400 0.17900 0.22600 1.000 C11 C 2.73700 0.61500 -0.13000 1.000 N12 N 3.67400 -0.46100 0.20200 1.000 C13 C 5.01900 -0.29600 -0.03100 1.000 N14 N 5.46000 0.81700 -0.54700 1.000 N15 N 5.89900 -1.30600 0.28000 1.000 H16 H -2.51000 3.87000 0.51300 1.000 H17 H -1.12500 0.56500 1.28100 1.000 H18 H -1.17000 -0.30800 -1.53200 1.000 H19 H -4.06200 0.17000 0.16800 1.000 H20 H -4.63000 -1.31700 0.70800 1.000 H21 H 0.39300 1.52000 -1.18700 1.000 H22 H 0.59300 2.19700 0.44700 1.000 H23 H 1.25600 -0.03800 1.29200 1.000 H24 H 1.05600 -0.71500 -0.34200 1.000 H25 H 2.79500 0.83200 -1.19600 1.000 H26 H 2.99500 1.51000 0.43800 1.000 H27 H 3.34600 -1.28900 0.58500 1.000 H28 H 6.41000 0.93300 -0.71100 1.000 H29 H 5.57100 -2.13400 0.66300 1.000 H30 H 6.84800 -1.19000 0.11500 1.000