# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CHK' 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 -0.70000 0.72000 1.54000 1.000 C1 C 0.21200 -0.05500 1.72400 1.000 C2 C 0.26200 -0.87400 2.98800 1.000 C3 C -0.84000 -0.40800 3.94100 1.000 C4 C -0.63200 1.06800 4.28100 1.000 C5 C -1.73500 1.53300 5.23300 1.000 C6 C -1.68400 0.70200 6.51700 1.000 C7 C -1.89300 -0.77400 6.17700 1.000 C8 C -0.79000 -1.23900 5.22500 1.000 N9 N 1.18200 -0.18600 0.79700 1.000 C10 C 2.33100 -1.05700 1.05800 1.000 C11 C 3.49300 -0.21900 1.59700 1.000 O12 O 3.13400 0.33400 2.86400 1.000 C13 C 1.08700 0.54000 -0.47000 1.000 C14 C 0.34500 -0.31700 -1.49600 1.000 O15 O -0.96700 -0.60700 -1.01400 1.000 C16 C 0.24600 0.44200 -2.82000 1.000 O17 O 1.56000 0.73200 -3.30200 1.000 C18 C -0.49500 -0.41600 -3.84700 1.000 O19 O -1.80800 -0.70600 -3.36500 1.000 C20 C -0.59300 0.34300 -5.17100 1.000 O21 O 0.71900 0.63400 -5.65300 1.000 C22 C -1.33500 -0.51400 -6.19700 1.000 O23 O -1.42800 0.19500 -7.43400 1.000 H24 H 0.11300 -1.92600 2.74600 1.000 H25 H 1.23300 -0.74500 3.46600 1.000 H26 H -1.81100 -0.53700 3.46300 1.000 H27 H 0.33900 1.19700 4.75900 1.000 H28 H -0.66800 1.66000 3.36600 1.000 H29 H -2.70600 1.40400 4.75500 1.000 H30 H -1.58600 2.58500 5.47500 1.000 H31 H -2.47000 1.03400 7.19500 1.000 H32 H -0.71300 0.83100 6.99500 1.000 H33 H -2.86400 -0.90300 5.69900 1.000 H34 H -1.85700 -1.36600 7.09200 1.000 H35 H -0.93900 -2.29200 4.98200 1.000 H36 H 0.18000 -1.11000 5.70300 1.000 H37 H 2.63400 -1.54600 0.13300 1.000 H38 H 2.05600 -1.81200 1.79500 1.000 H39 H 3.71500 0.58600 0.89800 1.000 H40 H 4.37300 -0.85200 1.71300 1.000 H41 H 3.91800 0.78700 3.20300 1.000 H42 H 0.54300 1.47200 -0.31400 1.000 H43 H 2.08900 0.76200 -0.83700 1.000 H44 H 0.88900 -1.24900 -1.65200 1.000 H45 H -1.41300 0.24100 -0.89000 1.000 H46 H -0.29700 1.37400 -2.66500 1.000 H47 H 2.00600 -0.11600 -3.42600 1.000 H48 H 0.04900 -1.34700 -4.00200 1.000 H49 H -2.25400 0.14200 -3.24100 1.000 H50 H -1.13700 1.27500 -5.01500 1.000 H51 H 1.16500 -0.21500 -5.77700 1.000 H52 H -0.79100 -1.44600 -6.35300 1.000 H53 H -2.33700 -0.73500 -5.83000 1.000 H54 H -1.90100 -0.37900 -8.05200 1.000