# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2KE' 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 0.85500 -1.42700 0.66000 1.000 C1 C 1.09300 -0.89200 -0.59300 1.000 C2 C -0.58200 0.43300 -1.81500 1.000 C3 C 1.28500 -2.71000 0.95800 1.000 C4 C 1.95600 -3.45700 -0.00500 1.000 C5 C 2.19200 -2.91500 -1.25800 1.000 C6 C 1.76000 -1.63400 -1.54900 1.000 C7 C 3.61500 2.41300 1.29900 1.000 C8 C -6.44800 -0.71000 0.17600 1.000 C9 C 2.95400 -5.46900 -0.78800 1.000 C10 C -6.06400 0.59800 -0.05500 1.000 N11 N -1.79800 0.18200 -1.29200 1.000 N12 N 6.75700 4.19900 0.77200 1.000 C13 C 6.84800 4.22000 -0.55100 1.000 C14 C 5.90000 3.65800 -1.34800 1.000 C15 C 4.78800 3.03500 -0.74500 1.000 C16 C 4.70900 3.02400 0.67100 1.000 C17 C 5.74700 3.63600 1.40800 1.000 C18 C 3.77300 2.43600 -1.50000 1.000 C19 C 2.71400 1.83300 -0.85100 1.000 C20 C 2.64100 1.83200 0.54700 1.000 N21 N 5.70500 3.64400 2.79200 1.000 N22 N 1.69800 1.23400 -1.59500 1.000 C23 C 0.62500 0.50400 -0.91600 1.000 O24 O -0.45900 0.60200 -3.01000 1.000 O25 O 2.38000 -4.71600 0.28300 1.000 O26 O 1.05100 -3.23700 2.19000 1.000 C27 C 0.35700 -2.41300 3.12800 1.000 C28 C 0.18800 -3.17100 4.44600 1.000 C29 C 4.44100 -5.13000 -0.91000 1.000 C30 C 2.79300 -6.96400 -0.50400 1.000 C31 C -2.97200 0.11400 -2.16600 1.000 C32 C -4.19800 -0.17700 -1.34000 1.000 C33 C -4.93900 0.86400 -0.81300 1.000 C34 C -5.70300 -1.75100 -0.34500 1.000 C35 C -4.57500 -1.48500 -1.09900 1.000 S36 S -7.01000 1.92500 0.61400 1.000 O37 O -6.74200 3.05900 -0.19900 1.000 O38 O -8.31900 1.41600 0.83100 1.000 N39 N -6.38700 2.26500 2.11100 1.000 H40 H 0.33700 -0.84300 1.40700 1.000 H41 H 2.71300 -3.49300 -2.00700 1.000 H42 H 1.94400 -1.21300 -2.52700 1.000 H43 H 3.54800 2.40000 2.37700 1.000 H44 H -7.32700 -0.91800 0.76800 1.000 H45 H 2.44600 -5.22000 -1.71900 1.000 H46 H -1.89700 0.04700 -0.33700 1.000 H47 H 7.70100 4.69800 -1.01000 1.000 H48 H 5.99700 3.68800 -2.42300 1.000 H49 H 3.82100 2.43800 -2.57900 1.000 H50 H 1.80100 1.36200 1.03600 1.000 H51 H 4.96100 3.22900 3.25700 1.000 H52 H 6.41800 4.06500 3.29600 1.000 H53 H 1.70200 1.30100 -2.56300 1.000 H54 H 0.36100 1.02100 0.00700 1.000 H55 H 0.92800 -1.50100 3.30300 1.000 H56 H -0.62400 -2.15500 2.72900 1.000 H57 H -0.38400 -4.08200 4.27100 1.000 H58 H 1.16900 -3.42800 4.84500 1.000 H59 H -0.34200 -2.54200 5.16200 1.000 H60 H 4.87800 -5.70400 -1.72700 1.000 H61 H 4.55500 -4.06500 -1.11200 1.000 H62 H 4.94800 -5.37900 0.02200 1.000 H63 H 1.73400 -7.20500 -0.41600 1.000 H64 H 3.23100 -7.53800 -1.32100 1.000 H65 H 3.30100 -7.21300 0.42800 1.000 H66 H -3.09800 1.06600 -2.68100 1.000 H67 H -2.83200 -0.68000 -2.90000 1.000 H68 H -4.63900 1.88600 -0.99400 1.000 H69 H -5.99800 -2.77300 -0.15700 1.000 H70 H -3.99400 -2.29900 -1.50700 1.000 H71 H -5.63400 1.75600 2.45000 1.000 H72 H -6.77400 2.97400 2.64800 1.000