# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWK' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 0.38400 -2.96900 0.97300 1.000 C1 C 2.56100 0.08900 -1.28400 1.000 O2 O 1.80300 -0.87700 -0.55500 1.000 C3 C 3.98700 -0.42900 -1.49000 1.000 O4 O 4.73100 0.51300 -2.26500 1.000 C5 C 4.65700 -0.61200 -0.12400 1.000 O6 O 6.01200 -1.02500 -0.30800 1.000 C7 C 4.62600 0.72200 0.62900 1.000 O8 O 5.18400 0.54600 1.93300 1.000 C9 C 3.17600 1.19600 0.75300 1.000 O10 O 2.60200 1.31500 -0.55100 1.000 C11 C 3.14100 2.55700 1.45100 1.000 O12 O 1.78400 2.94500 1.67100 1.000 C13 C 0.46300 -0.67100 -0.46600 1.000 C14 C -0.10800 0.44000 -1.07100 1.000 C15 C -1.46800 0.65300 -0.98200 1.000 C16 C -2.27000 -0.25000 -0.28500 1.000 C17 C -1.69400 -1.36700 0.32100 1.000 C18 C -0.33400 -1.57700 0.22500 1.000 C19 C -3.73200 -0.02400 -0.18900 1.000 C20 C -4.53200 -0.92900 0.50900 1.000 C21 C -5.89000 -0.72000 0.60000 1.000 C22 C -6.46600 0.39900 -0.00700 1.000 C23 C -5.66300 1.30500 -0.70600 1.000 C24 C -4.30500 1.09700 -0.79000 1.000 C25 C -7.87800 0.61800 0.08600 1.000 N26 N -8.99800 0.79100 0.16000 1.000 H27 H 2.09400 0.26100 -2.25400 1.000 H28 H 2.60500 0.47300 1.33600 1.000 H29 H 3.95500 -1.38600 -2.01100 1.000 H30 H 4.36000 0.68100 -3.14200 1.000 H31 H 4.11900 -1.36800 0.44800 1.000 H32 H 6.10700 -1.86100 -0.78500 1.000 H33 H 5.20700 1.46300 0.08100 1.000 H34 H 6.10100 0.24200 1.93100 1.000 H35 H 3.65800 2.48700 2.40800 1.000 H36 H 3.63500 3.29900 0.82500 1.000 H37 H 1.68600 3.80100 2.11100 1.000 H38 H 0.51300 1.14000 -1.61000 1.000 H39 H -1.91100 1.51800 -1.45200 1.000 H40 H -2.31200 -2.06800 0.86200 1.000 H41 H -4.08700 -1.79400 0.97800 1.000 H42 H -6.50900 -1.42100 1.14000 1.000 H43 H -6.10700 2.17000 -1.17600 1.000 H44 H -3.68400 1.79900 -1.32600 1.000