# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99O' 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 1.67000 2.50100 -1.05400 1.000 C1 C -3.21300 -1.07600 1.45800 1.000 C2 C -2.87600 0.05600 2.43300 1.000 C3 C -3.58200 1.33800 1.98500 1.000 C4 C -3.42800 0.62000 -0.40500 1.000 C5 C 1.65000 0.26800 -0.25500 1.000 C6 C 2.45000 -0.67600 0.38100 1.000 N7 N 3.67900 -0.07200 0.61400 1.000 C8 C 3.67200 1.20600 0.15000 1.000 C9 C 0.32800 0.06200 -0.65200 1.000 C10 C -0.22500 -1.20400 -0.40000 1.000 C11 C 0.55500 -2.14700 0.21300 1.000 C12 C 1.86900 -1.90900 0.61300 1.000 C13 C 2.35100 1.47000 -0.43200 1.000 C14 C 0.35000 2.31000 -1.46300 1.000 C15 C -0.32800 1.13500 -1.28000 1.000 O16 O 4.59900 1.99200 0.20600 1.000 C17 C 4.81900 -0.71900 1.26800 1.000 S18 S -1.88600 -1.57000 -0.86100 1.000 O19 O -2.04900 -1.09000 -2.18800 1.000 O20 O -2.11700 -2.92100 -0.48800 1.000 N21 N -2.87400 -0.64600 0.09400 1.000 C22 C 5.68800 -1.40800 0.21400 1.000 C23 C -3.08600 1.73600 0.59300 1.000 O24 O -3.72300 2.94900 0.18800 1.000 H25 H 2.15700 3.45100 -1.21900 1.000 H26 H -2.63600 -1.96400 1.71500 1.000 H27 H -4.27800 -1.30300 1.51500 1.000 H28 H -3.21300 -0.21300 3.43400 1.000 H29 H -1.79800 0.21900 2.44400 1.000 H30 H -4.65800 1.16700 1.95100 1.000 H31 H -3.36400 2.13900 2.69100 1.000 H32 H -2.99200 0.85100 -1.37700 1.000 H33 H -4.51000 0.53300 -0.50200 1.000 H34 H 0.12800 -3.12000 0.40600 1.000 H35 H 2.43400 -2.68900 1.10300 1.000 H36 H -0.16100 3.12900 -1.94700 1.000 H37 H -1.35000 1.03400 -1.61400 1.000 H38 H 5.41100 0.03200 1.79200 1.000 H39 H 4.45700 -1.45900 1.98200 1.000 H40 H 5.09600 -2.15900 -0.31000 1.000 H41 H 6.05000 -0.66800 -0.49900 1.000 H42 H 6.53600 -1.89000 0.70100 1.000 H43 H -2.00600 1.88300 0.62000 1.000 H44 H -3.55300 3.69800 0.77600 1.000