# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKE' 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 -1.40500 -0.70000 1.64200 1.000 C1 C -0.24200 -0.21700 2.46900 1.000 C2 C 1.02900 -0.33800 1.66800 1.000 C3 C 1.76800 -1.50500 1.71900 1.000 C4 C 2.93300 -1.61900 0.98600 1.000 C5 C 3.36200 -0.55900 0.19700 1.000 C6 C 5.67800 -1.00600 0.32100 1.000 C7 C 6.93100 -1.19700 -0.53800 1.000 C8 C 4.80300 0.56000 -1.30400 1.000 C9 C -1.87200 1.93400 -0.68700 1.000 C10 C -3.02100 4.12000 -0.30300 1.000 C11 C 7.51500 1.14900 -0.39500 1.000 N12 N -4.78500 -2.61700 -0.66800 1.000 C13 C -3.79800 -2.98300 0.13500 1.000 C14 C -2.95200 -1.99700 0.63900 1.000 C15 C -3.18300 -0.65300 0.27300 1.000 N16 N -4.19900 -0.38300 -0.53900 1.000 C17 C -4.97000 -1.34900 -0.98900 1.000 C18 C -1.79400 -1.98100 1.53200 1.000 N19 N -2.22700 0.10300 0.89500 1.000 N20 N -5.64800 -1.03700 -3.30100 1.000 C21 C 2.61600 0.61200 0.14800 1.000 C22 C 1.44900 0.71700 0.87900 1.000 N23 N 4.54000 -0.67100 -0.54600 1.000 N24 N 7.19400 0.03400 -1.29600 1.000 C25 C 6.05600 0.36900 -2.16300 1.000 C26 C -2.10000 1.55800 0.77900 1.000 C27 C -3.38200 2.22300 1.28300 1.000 C28 C -3.24900 3.74300 1.16200 1.000 C29 C -1.73900 3.45400 -0.80800 1.000 C30 C -6.11100 -0.99600 -1.90800 1.000 H31 H -0.40000 0.82600 2.74400 1.000 H32 H -0.16100 -0.82300 3.37200 1.000 H33 H 1.43500 -2.32900 2.33300 1.000 H34 H 3.51000 -2.53100 1.02600 1.000 H35 H 5.46400 -1.92700 0.86200 1.000 H36 H 5.84500 -0.19700 1.03200 1.000 H37 H 7.78300 -1.41600 0.10600 1.000 H38 H 6.77500 -2.02400 -1.23000 1.000 H39 H 3.95100 0.78000 -1.94700 1.000 H40 H 4.95900 1.38800 -0.61200 1.000 H41 H -0.95900 1.46000 -1.04600 1.000 H42 H -2.71800 1.59500 -1.28500 1.000 H43 H -3.86700 3.78000 -0.90100 1.000 H44 H -2.92700 5.20200 -0.38900 1.000 H45 H 8.40300 0.90100 0.18800 1.000 H46 H 7.70600 2.04700 -0.98200 1.000 H47 H 6.67600 1.32600 0.27800 1.000 H48 H -3.65200 -4.02100 0.39300 1.000 H49 H -1.33900 -2.83500 2.01100 1.000 H50 H -6.39600 -0.80300 -3.93800 1.000 H51 H -4.85500 -0.42800 -3.43700 1.000 H52 H 2.94700 1.43800 -0.46500 1.000 H53 H 0.86700 1.62600 0.83800 1.000 H54 H 5.88900 -0.44000 -2.87400 1.000 H55 H 6.26900 1.29100 -2.70400 1.000 H56 H -1.25400 1.89700 1.37700 1.000 H57 H -4.22700 1.88300 0.68500 1.000 H58 H -3.54400 1.95500 2.32700 1.000 H59 H -2.40300 4.08200 1.76000 1.000 H60 H -4.16200 4.21700 1.52200 1.000 H61 H -0.89400 3.79400 -0.21000 1.000 H62 H -1.57700 3.72200 -1.85200 1.000 H63 H -6.92200 -1.71200 -1.77300 1.000 H64 H -6.47000 0.00600 -1.67300 1.000