# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9OE' 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 4.40300 2.12900 -0.62600 1.000 C1 C -0.42200 1.22300 0.22700 1.000 C2 C 0.70000 -0.97500 0.51900 1.000 C3 C 1.83700 -1.75300 0.51400 1.000 C4 C 2.03400 0.96500 -0.06000 1.000 C5 C -2.96300 1.27200 0.19900 1.000 C6 C 0.78800 0.39300 0.22900 1.000 C7 C 3.07100 -1.18400 0.22700 1.000 C8 C 3.16700 0.17800 -0.05700 1.000 C9 C -3.77400 -0.80500 -0.27100 1.000 C10 C -1.64500 0.64400 0.08300 1.000 N11 N -3.11900 2.60800 0.48700 1.000 N12 N -3.97400 0.48000 0.00500 1.000 O13 O -4.63100 -1.65000 -0.47000 1.000 O14 O 4.18800 -1.95700 0.22400 1.000 O15 O 4.37800 0.73000 -0.33700 1.000 S16 S -2.01800 -1.05200 -0.29200 1.000 H17 H 3.78000 2.33200 -1.49700 1.000 H18 H 4.02000 2.68300 0.23100 1.000 H19 H 5.42700 2.44000 -0.83100 1.000 H20 H -0.34200 2.29400 0.34000 1.000 H21 H -0.25800 -1.42000 0.74300 1.000 H22 H 1.76800 -2.80800 0.73400 1.000 H23 H 2.10700 2.01900 -0.28400 1.000 H24 H -2.33900 3.16900 0.62100 1.000 H25 H -4.00800 2.98800 0.55600 1.000 H26 H 4.39100 -2.35200 -0.63500 1.000