# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKY' 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 3.80500 0.32600 -1.31400 1.000 C1 C 3.27000 -3.57000 0.65800 1.000 C2 C 0.98100 -3.84000 1.30500 1.000 C3 C 0.91400 -2.49700 1.62800 1.000 C4 C 2.02400 -1.69000 1.46200 1.000 C5 C 2.06000 1.99800 -0.68100 1.000 C6 C 1.44700 2.75900 0.46700 1.000 C7 C -0.31400 3.03600 2.07900 1.000 C8 C 2.07600 3.88500 0.96600 1.000 N9 N -0.39400 1.19700 0.51500 1.000 C10 C -1.71200 1.01600 0.73100 1.000 C11 C -2.37300 -0.27300 0.31600 1.000 C12 C 2.15900 -4.37600 0.82000 1.000 C13 C 0.32100 4.15700 2.57800 1.000 C14 C -5.32300 1.80100 0.48200 1.000 C15 C -4.36400 0.88900 -1.51400 1.000 C16 C -5.20100 -2.22100 1.35400 1.000 C17 C -4.37400 -2.10800 -0.89100 1.000 C18 C 1.51300 4.58300 2.02100 1.000 C19 C -5.93700 2.78900 -0.26300 1.000 C20 C -4.97300 1.88000 -2.26100 1.000 C21 C -5.78900 -3.44100 1.07700 1.000 C22 C -4.96500 -3.32500 -1.17200 1.000 C23 C -4.53500 0.85300 -0.14300 1.000 C24 C -4.49600 -1.55400 0.37000 1.000 C25 C 0.24800 2.33300 1.02100 1.000 C26 C -5.76300 2.83000 -1.63600 1.000 C27 C -5.67100 -3.99400 -0.18700 1.000 C28 C 3.20400 -2.22800 0.98200 1.000 C29 C 6.39400 -0.30800 -2.48100 1.000 C30 C 4.66900 1.34500 -2.06400 1.000 C31 C 5.60000 -1.39500 -1.74800 1.000 C32 C 4.80400 -2.22000 -2.76100 1.000 C33 C 3.10000 1.01300 -0.14300 1.000 C34 C -3.86000 -0.22100 0.67200 1.000 N35 N 4.67700 -0.74400 -0.80600 1.000 N36 N 5.46100 0.65000 -3.08800 1.000 O37 O -2.36600 1.89000 1.25900 1.000 O38 O 4.37200 -0.02200 1.53400 1.000 O39 O 5.75300 -2.03500 1.00000 1.000 F40 F -6.36400 3.79600 -2.36500 1.000 F41 F -6.24500 -5.18700 -0.45900 1.000 F42 F 3.24100 4.30400 0.42400 1.000 S43 S 4.62200 -1.20200 0.78400 1.000 H44 H 3.06300 -0.09700 -1.99100 1.000 H45 H 4.19200 -3.99000 0.28300 1.000 H46 H 0.11300 -4.47000 1.43500 1.000 H47 H -0.00500 -2.07900 2.01100 1.000 H48 H 1.97200 -0.64200 1.71500 1.000 H49 H 1.28100 1.45100 -1.21100 1.000 H50 H 2.54100 2.69800 -1.36400 1.000 H51 H -1.24500 2.70400 2.51500 1.000 H52 H 0.10900 0.54100 0.00900 1.000 H53 H -2.26200 -0.40900 -0.76000 1.000 H54 H -1.90400 -1.10700 0.83800 1.000 H55 H 2.21100 -5.42500 0.56700 1.000 H56 H -0.11400 4.70100 3.40300 1.000 H57 H -5.45500 1.77200 1.55400 1.000 H58 H -3.74700 0.14800 -2.00100 1.000 H59 H -5.29600 -1.78800 2.33800 1.000 H60 H -3.82300 -1.58500 -1.65900 1.000 H61 H 2.00500 5.46300 2.41000 1.000 H62 H -6.55400 3.53000 0.22600 1.000 H63 H -4.83300 1.91300 -3.33100 1.000 H64 H -6.33900 -3.96300 1.84600 1.000 H65 H -4.87000 -3.75700 -2.15700 1.000 H66 H 7.04000 0.21100 -1.77300 1.000 H67 H 7.00400 -0.76600 -3.26000 1.000 H68 H 4.02800 2.08600 -2.54100 1.000 H69 H 5.33900 1.84100 -1.36100 1.000 H70 H 6.28600 -2.04500 -1.20400 1.000 H71 H 5.48900 -2.68800 -3.46800 1.000 H72 H 4.24000 -2.99200 -2.23700 1.000 H73 H 4.11500 -1.56900 -3.29900 1.000 H74 H 2.60500 0.26300 0.47400 1.000 H75 H 3.83300 1.55100 0.45800 1.000 H76 H -3.97300 0.00300 1.73200 1.000 H77 H 4.86300 0.19600 -3.76100 1.000