# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKG' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 5.51300 -1.12500 -1.15600 1.000 C1 C 5.08700 -0.14400 -0.57900 1.000 N2 N 5.88400 0.92600 -0.39000 1.000 C3 C 3.69300 -0.12300 -0.08900 1.000 C4 C 2.75400 -1.14800 -0.21500 1.000 C5 C 2.83100 -2.50100 -0.85900 1.000 N6 N 3.10100 0.87000 0.55700 1.000 N7 N 1.88000 0.56200 0.84200 1.000 C8 C 0.93200 1.42900 1.54600 1.000 C9 C 0.17000 2.28200 0.53000 1.000 C10 C -0.90600 3.09800 1.25200 1.000 C11 C -1.62500 3.99300 0.24000 1.000 N12 N -0.65300 4.88900 -0.40000 1.000 C13 C 0.36400 4.12900 -1.13800 1.000 C14 C 1.14200 3.23800 -0.16800 1.000 C15 C 1.61100 -0.68100 0.39600 1.000 C16 C 0.41000 -1.53100 0.47400 1.000 N17 N -0.77700 -1.06600 0.82600 1.000 C18 C -1.83200 -1.87900 0.85300 1.000 N19 N -1.72300 -3.16700 0.53700 1.000 C20 C -0.55900 -3.69800 0.20300 1.000 C21 C 0.56700 -2.89400 0.17600 1.000 C22 C 1.91900 -3.47800 -0.11600 1.000 N23 N -3.04600 -1.38200 1.21000 1.000 C24 C -3.81600 -0.80600 0.30600 1.000 C25 C -5.08400 -0.15500 0.68700 1.000 C26 C -5.98300 0.11600 -0.24900 1.000 C27 C -5.78300 -0.21900 -1.69300 1.000 C28 C -4.35600 -0.51200 -2.03400 1.000 C29 C -3.43400 -0.78600 -1.11900 1.000 H30 H 6.79800 0.91400 -0.71500 1.000 H31 H 5.54300 1.70900 0.07000 1.000 H32 H 2.51300 -2.42700 -1.89900 1.000 H33 H 3.85900 -2.86400 -0.81900 1.000 H34 H 1.79200 -4.37300 -0.72500 1.000 H35 H 2.39300 -3.75700 0.82500 1.000 H36 H 0.22800 0.81700 2.10800 1.000 H37 H 1.47600 2.08000 2.23100 1.000 H38 H -0.29900 1.63400 -0.21000 1.000 H39 H -1.62600 2.42200 1.71500 1.000 H40 H -0.44100 3.71600 2.01900 1.000 H41 H 1.63900 3.85900 0.57700 1.000 H42 H 1.88500 2.66200 -0.71900 1.000 H43 H -2.10200 3.37400 -0.52000 1.000 H44 H -2.38200 4.58600 0.75300 1.000 H45 H -1.11500 5.55500 -1.00100 1.000 H46 H -0.12300 3.50900 -1.89100 1.000 H47 H 1.05100 4.82100 -1.62600 1.000 H48 H -0.48700 -4.74700 -0.04600 1.000 H49 H -5.27900 0.09700 1.71900 1.000 H50 H -2.41700 -0.99700 -1.41400 1.000 H51 H -6.90100 0.60200 0.04500 1.000 H52 H -6.38900 -1.09200 -1.93700 1.000 H53 H -6.12300 0.62100 -2.29900 1.000 H54 H -4.06100 -0.49600 -3.07300 1.000