# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKQ' 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 -4.82700 -1.01000 -0.25600 1.000 C1 C -6.11800 -1.25800 0.30400 1.000 C2 C -6.99800 -0.01900 0.12400 1.000 C3 C -6.31700 1.18200 0.78800 1.000 C4 C -4.92300 1.36500 0.17900 1.000 C5 C -4.12300 0.07200 0.35700 1.000 C6 C -2.77100 0.22400 -0.29100 1.000 O7 O -4.25000 2.43800 0.84200 1.000 O8 O -7.09500 2.35900 0.56100 1.000 O9 O -8.27100 -0.24400 0.73300 1.000 C10 C -6.76200 -2.44900 -0.40800 1.000 O11 O -6.00200 -3.63000 -0.14500 1.000 N12 N -1.57000 0.03300 0.30700 1.000 C13 C -0.62900 0.28000 -0.65500 1.000 N14 N -1.27800 0.59900 -1.75400 1.000 N15 N -2.54400 0.55800 -1.53300 1.000 C16 C 0.83900 0.20500 -0.49100 1.000 C17 C 1.38600 -0.15400 0.74300 1.000 C18 C 2.75200 -0.22400 0.89500 1.000 C19 C 3.59100 0.06400 -0.18300 1.000 C20 C 3.04400 0.42300 -1.41600 1.000 C21 C 1.67800 0.48800 -1.57100 1.000 C22 C 5.06100 -0.01100 -0.01800 1.000 C23 C 5.60700 -0.37500 1.21400 1.000 C24 C 6.97300 -0.44500 1.36800 1.000 C25 C 7.81300 -0.15200 0.29100 1.000 C26 C 7.26500 0.21200 -0.94200 1.000 C27 C 5.89900 0.27700 -1.09600 1.000 C28 C 9.27800 -0.22600 0.45500 1.000 O29 O 9.75300 -0.54300 1.52800 1.000 O30 O 10.08800 0.05700 -0.58400 1.000 H31 H -6.01600 -1.48100 1.36600 1.000 H32 H -7.13300 0.18100 -0.93900 1.000 H33 H -6.22600 1.00300 1.85900 1.000 H34 H -5.01600 1.59300 -0.88300 1.000 H35 H -3.99600 -0.13300 1.42000 1.000 H36 H -4.70400 3.28900 0.77400 1.000 H37 H -6.72200 3.15900 0.95500 1.000 H38 H -8.88100 0.50200 0.65700 1.000 H39 H -7.78100 -2.58300 -0.04300 1.000 H40 H -6.78300 -2.26300 -1.48200 1.000 H41 H -6.35400 -4.42700 -0.56600 1.000 H42 H -1.41000 -0.22600 1.22800 1.000 H43 H 0.73700 -0.37700 1.57700 1.000 H44 H 3.17500 -0.50100 1.84900 1.000 H45 H 3.69400 0.64600 -2.25000 1.000 H46 H 1.25500 0.76100 -2.52600 1.000 H47 H 4.95700 -0.60200 2.04700 1.000 H48 H 7.39500 -0.72600 2.32200 1.000 H49 H 7.91400 0.43900 -1.77600 1.000 H50 H 5.47600 0.55400 -2.05000 1.000 H51 H 11.04000 -0.00600 -0.42800 1.000