# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0KS' 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 -1.67200 0.11200 0.16500 1.000 C1 C -0.60500 0.98400 0.28000 1.000 C2 C -1.45700 -1.25400 0.17100 1.000 C3 C 0.68100 0.49200 0.39400 1.000 C4 C -0.17400 -1.75200 0.28600 1.000 C5 C 0.90100 -0.87900 0.39400 1.000 N6 N 2.20000 -1.37900 0.51000 1.000 S7 S 3.30900 -1.08600 -0.68400 1.000 O8 O 4.21800 -2.17800 -0.66400 1.000 O9 O 2.56900 -0.71300 -1.83700 1.000 C10 C 4.23100 0.33600 -0.20200 1.000 C11 C 5.31600 0.20300 0.64400 1.000 C12 C 3.87200 1.58500 -0.67400 1.000 C13 C 4.59800 2.70000 -0.30100 1.000 C14 C 6.03900 1.31900 1.02200 1.000 C15 C 5.68300 2.56700 0.54500 1.000 C16 C 2.58100 -2.16300 1.68800 1.000 C17 C -3.07400 0.65100 0.04100 1.000 C18 C -3.67800 0.19800 -1.29000 1.000 C19 C -3.92800 0.12300 1.19500 1.000 F20 F -3.71100 -1.19900 -1.33600 1.000 F21 F -4.97900 0.69900 -1.40600 1.000 F22 F -2.89700 0.68100 -2.34500 1.000 F23 F -5.19200 0.72300 1.15200 1.000 F24 F -4.06600 -1.26400 1.07600 1.000 F25 F -3.30900 0.42800 2.41100 1.000 O26 O -3.04000 2.07900 0.08700 1.000 H27 H -0.77700 2.05000 0.28000 1.000 H28 H -2.29300 -1.93200 0.08600 1.000 H29 H 1.51400 1.17400 0.48300 1.000 H30 H -0.00700 -2.81900 0.29100 1.000 H31 H 5.60000 -0.77300 1.00900 1.000 H32 H 3.02400 1.68900 -1.33500 1.000 H33 H 4.32000 3.67500 -0.67400 1.000 H34 H 6.88600 1.21500 1.68300 1.000 H35 H 6.25100 3.43800 0.83600 1.000 H36 H 2.38600 -3.21900 1.50000 1.000 H37 H 3.64200 -2.02000 1.89200 1.000 H38 H 1.99800 -1.83400 2.54800 1.000 H39 H -2.66800 2.43800 0.90500 1.000