# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CUX' 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 2.43200 -0.63200 -0.53800 1.000 C1 C 3.20200 0.41400 0.00100 1.000 C2 C 4.56500 0.48500 -0.32500 1.000 N3 N 5.06900 -0.44400 -1.13300 1.000 N4 N 3.02800 -1.51400 -1.33900 1.000 C5 C 7.42500 2.73600 0.50200 1.000 C6 C 6.78500 1.55000 -0.17400 1.000 N7 N 5.36500 1.49500 0.18000 1.000 C8 C 4.30900 -1.41000 -1.61800 1.000 C9 C 2.29300 1.20800 0.82500 1.000 C10 C 1.08500 0.62700 0.74000 1.000 N11 N 1.15500 -0.47200 -0.07600 1.000 C12 C 0.02800 -1.35100 -0.40000 1.000 O13 O -1.22700 -0.69000 -0.12900 1.000 C14 C 0.00300 -2.57700 0.54700 1.000 O15 O 0.83600 -3.62500 0.04700 1.000 C16 C -1.48900 -2.99000 0.50400 1.000 O17 O -1.68600 -4.05900 -0.42300 1.000 C18 C -2.21800 -1.71900 0.02600 1.000 C19 C -3.25400 -1.29100 1.06700 1.000 O20 O -4.21600 -2.33400 1.23900 1.000 C21 C -3.94900 -0.03900 0.59800 1.000 C22 C -3.50000 1.19900 1.01900 1.000 C23 C -4.13700 2.34800 0.58900 1.000 C24 C -5.22500 2.25900 -0.26200 1.000 Cl25 Cl -6.02500 3.70100 -0.80200 1.000 C26 C -5.67400 1.02000 -0.68200 1.000 C27 C -5.03200 -0.12800 -0.25600 1.000 H28 H 7.01500 3.72500 0.36000 1.000 H29 H 6.88700 1.64900 -1.25400 1.000 H30 H 4.75900 -2.14400 -2.27000 1.000 H31 H 2.54300 2.09300 1.39200 1.000 H32 H 0.19200 0.97500 1.23800 1.000 H33 H 0.07900 -1.67100 -1.44100 1.000 H34 H 0.30000 -2.29500 1.55700 1.000 H35 H 0.85300 -4.41400 0.60600 1.000 H36 H -1.83300 -3.27900 1.49700 1.000 H37 H -1.20100 -4.86600 -0.20100 1.000 H38 H -2.70700 -1.91000 -0.92900 1.000 H39 H -2.75600 -1.09600 2.01700 1.000 H40 H -4.69900 -2.56000 0.43300 1.000 H41 H -2.65200 1.26900 1.68300 1.000 H42 H -3.78700 3.31500 0.91800 1.000 H43 H -6.52200 0.94900 -1.34600 1.000 H44 H -5.38200 -1.09600 -0.58400 1.000 H45 H 7.27800 0.63500 0.15600 1.000 H46 H 4.98400 2.16600 0.76800 1.000 O47 O 8.39600 2.58000 1.20300 1.000