# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKS' 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 3.77800 0.29700 -1.21600 1.000 C1 C 1.92600 -1.78600 1.46400 1.000 C2 C 0.89400 -3.93300 1.22700 1.000 C3 C 2.09100 -4.46000 0.78000 1.000 C4 C 3.20400 -3.64800 0.66900 1.000 C5 C 2.02000 1.95800 -0.59100 1.000 C6 C 1.39300 2.70800 0.55600 1.000 C7 C -0.39400 2.97800 2.14100 1.000 C8 C 2.02100 3.82400 1.08000 1.000 N9 N -0.46000 1.16000 0.55200 1.000 C10 C -1.78400 0.98900 0.73800 1.000 C11 C -2.44800 -0.28900 0.29500 1.000 C12 C 0.81100 -2.59600 1.56900 1.000 C13 C 0.24100 4.08800 2.66400 1.000 C14 C -5.38200 1.81000 0.42000 1.000 C15 C -4.38700 0.91200 -1.56400 1.000 C16 C -5.31200 -2.22300 1.25200 1.000 C17 C -4.44200 -2.09000 -0.97500 1.000 C18 C 1.44500 4.51300 2.13400 1.000 C19 C -5.97100 2.81200 -0.32700 1.000 C20 C -4.97000 1.91600 -2.31300 1.000 C21 C -5.90500 -3.43400 0.94900 1.000 C22 C -5.03800 -3.29800 -1.28200 1.000 C23 C -4.58800 0.86200 -0.19800 1.000 C24 C -4.58300 -1.55000 0.28900 1.000 C25 C 0.18100 2.28400 1.08400 1.000 C26 C -5.76600 2.86600 -1.69500 1.000 C27 C -5.76800 -3.97400 -0.31900 1.000 C28 C 3.12200 -2.31100 1.01100 1.000 C29 C 5.57700 -1.42200 -1.64200 1.000 C30 C 4.66400 1.32700 -1.92500 1.000 C31 C 6.39200 -0.32500 -2.33500 1.000 C32 C 7.27100 -0.94900 -3.42000 1.000 C33 C 3.04900 0.96400 -0.04800 1.000 C34 C -3.94200 -0.22700 0.61900 1.000 N35 N 4.63500 -0.78600 -0.70900 1.000 N36 N 5.47700 0.65000 -2.94400 1.000 O37 O -2.44100 1.86400 1.26200 1.000 O38 O 4.26600 -0.11100 1.63500 1.000 O39 O 5.66900 -2.10900 1.09900 1.000 F40 F -6.34200 3.84500 -2.42700 1.000 F41 F -6.34700 -5.15800 -0.61600 1.000 F42 F 3.19800 4.24100 0.56400 1.000 S43 S 4.54100 -1.27600 0.87000 1.000 H44 H 3.05100 -0.11000 -1.91800 1.000 H45 H 1.86100 -0.74100 1.73100 1.000 H46 H 0.02300 -4.56700 1.30900 1.000 H47 H 2.15600 -5.50400 0.51300 1.000 H48 H 4.14000 -4.05900 0.32000 1.000 H49 H 1.24700 1.41900 -1.13800 1.000 H50 H 2.51400 2.66300 -1.26000 1.000 H51 H -1.33400 2.64800 2.55600 1.000 H52 H 0.04800 0.50400 0.05000 1.000 H53 H -2.31400 -0.41400 -0.78000 1.000 H54 H -1.99700 -1.13300 0.81800 1.000 H55 H -0.12500 -2.18500 1.91700 1.000 H56 H -0.20500 4.62500 3.48900 1.000 H57 H -5.53800 1.77000 1.48800 1.000 H58 H -3.76600 0.17100 -2.04600 1.000 H59 H -5.42300 -1.80000 2.24000 1.000 H60 H -3.87200 -1.56300 -1.72700 1.000 H61 H 1.93700 5.38400 2.54200 1.000 H62 H -6.59200 3.55300 0.15600 1.000 H63 H -4.80600 1.96100 -3.37900 1.000 H64 H -6.47500 -3.96000 1.70100 1.000 H65 H -4.92800 -3.72000 -2.27000 1.000 H66 H 5.02500 -1.99400 -2.38800 1.000 H67 H 6.24700 -2.08600 -1.09500 1.000 H68 H 4.03700 2.08000 -2.40200 1.000 H69 H 5.31900 1.80600 -1.19700 1.000 H70 H 7.02300 0.17800 -1.60100 1.000 H71 H 6.64000 -1.45100 -4.15400 1.000 H72 H 7.85100 -0.16800 -3.91300 1.000 H73 H 7.94800 -1.67400 -2.96800 1.000 H74 H 2.54100 0.20400 0.54500 1.000 H75 H 3.76900 1.49200 0.57700 1.000 H76 H -4.07500 -0.01300 1.68000 1.000 H77 H 4.89300 0.21100 -3.64000 1.000