# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CEK' 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 5.85000 -1.41700 -1.87500 1.000 C1 C 4.85500 -2.31000 -1.18100 1.000 O2 O 4.86700 -3.50700 -1.38600 1.000 C3 C 3.90800 -1.75600 -0.29200 1.000 C4 C 3.89700 -0.35600 -0.05600 1.000 C5 C 2.90500 0.15700 0.95600 1.000 C6 C 1.75600 -0.78500 1.31800 1.000 C7 C 1.88700 -2.09200 1.07400 1.000 C8 C 2.97800 -2.59300 0.34900 1.000 O9 O 0.80400 0.07600 1.72800 1.000 C10 C 0.84600 1.16900 0.90700 1.000 C11 C 2.12700 1.31400 0.37800 1.000 C12 C -0.14500 2.09700 0.55000 1.000 C13 C 0.16800 3.15300 -0.31900 1.000 C14 C 1.44800 3.27900 -0.82700 1.000 C15 C 2.42800 2.35600 -0.47600 1.000 C16 C 3.64200 0.59300 2.22400 1.000 O17 O 4.65300 0.39300 -0.64100 1.000 O18 O 3.14300 -3.92900 0.26800 1.000 O19 O 3.68400 2.48000 -0.97500 1.000 O20 O -0.78800 4.05200 -0.66400 1.000 C21 C -0.40100 5.10200 -1.55300 1.000 C22 C -1.50800 1.96200 1.08500 1.000 O23 O -1.80800 2.50600 2.13100 1.000 N24 N -2.42500 1.23500 0.41700 1.000 C25 C -3.78300 1.10100 0.95000 1.000 C26 C -4.60600 0.24500 0.02100 1.000 C27 C -4.49000 -1.15500 0.06200 1.000 C28 C -5.27200 -1.94200 -0.82000 1.000 C29 C -6.14700 -1.30900 -1.71800 1.000 C30 C -6.23300 0.05000 -1.72900 1.000 C31 C -5.46800 0.82400 -0.85900 1.000 C32 C -5.15500 -3.34200 -0.78000 1.000 C33 C -4.29700 -3.92200 0.10300 1.000 C34 C -3.52900 -3.14700 0.97100 1.000 C35 C -3.61400 -1.78900 0.96000 1.000 H36 H 6.49400 -2.01900 -2.51600 1.000 H37 H 5.31900 -0.68300 -2.48100 1.000 H38 H 6.45800 -0.90200 -1.13100 1.000 H39 H 1.68800 4.09300 -1.49500 1.000 H40 H 4.34200 1.39200 1.98200 1.000 H41 H 2.92000 0.95200 2.95800 1.000 H42 H 4.18800 -0.25600 2.63600 1.000 H43 H 2.48900 -4.48000 0.71800 1.000 H44 H 3.82200 2.01400 -1.81100 1.000 H45 H 0.40000 5.68500 -1.09900 1.000 H46 H -0.05200 4.67300 -2.49100 1.000 H47 H -1.25700 5.74800 -1.74500 1.000 H48 H -2.18700 0.80100 -0.41700 1.000 H49 H -3.74300 0.63300 1.93400 1.000 H50 H -4.24000 2.08700 1.03500 1.000 H51 H -6.74800 -1.89600 -2.39600 1.000 H52 H -6.90600 0.53500 -2.42100 1.000 H53 H -5.55800 1.90000 -0.88600 1.000 H54 H -5.74500 -3.95600 -1.44600 1.000 H55 H -4.20900 -4.99800 0.13200 1.000 H56 H -2.85500 -3.63200 1.66200 1.000 H57 H -3.01200 -1.20200 1.63700 1.000 H58 H 1.13600 -2.77600 1.43900 1.000