# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CDQ' 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 4.44200 -1.01200 -0.48400 1.000 C1 C 3.36500 -1.12300 -1.34600 1.000 C2 C 2.24700 -0.33400 -1.17000 1.000 C3 C 2.19500 0.58200 -0.12000 1.000 C4 C 3.28200 0.68300 0.73800 1.000 C5 C 4.39700 -0.10500 0.56100 1.000 C6 C 2.92400 1.74400 1.75400 1.000 C7 C 1.53700 2.19300 1.34400 1.000 O8 O 0.86300 3.04000 1.89100 1.000 N9 N 1.19400 1.47700 0.26000 1.000 C10 C -0.08500 1.61800 -0.44100 1.000 C11 C -1.06100 0.59500 0.08200 1.000 C12 C -0.71700 -0.20200 1.15100 1.000 C13 C -1.60800 -1.14500 1.63600 1.000 C14 C -2.85500 -1.29800 1.05000 1.000 C15 C -3.21700 -0.49900 -0.02800 1.000 C16 C -2.31800 0.45900 -0.51500 1.000 C17 C -2.69200 1.31400 -1.65600 1.000 O18 O -3.21200 2.53800 -1.43800 1.000 O19 O -2.53300 0.91500 -2.79300 1.000 O20 O -4.43700 -0.62700 -0.61100 1.000 C21 C -5.15600 -1.83500 -0.34100 1.000 C22 C -5.08800 -2.10700 1.16800 1.000 O23 O -3.71100 -2.23600 1.53900 1.000 Cl24 Cl 5.84200 -2.01400 -0.70700 1.000 H25 H 3.39900 -1.83100 -2.16100 1.000 H26 H 1.41100 -0.42500 -1.84700 1.000 H27 H 5.23500 -0.01500 1.23700 1.000 H28 H 2.90700 1.32100 2.75800 1.000 H29 H 3.62600 2.57600 1.70000 1.000 H30 H -0.48300 2.61900 -0.27200 1.000 H31 H 0.06700 1.46300 -1.50900 1.000 H32 H 0.25300 -0.09100 1.61300 1.000 H33 H -1.32900 -1.76500 2.47500 1.000 H34 H -3.37300 3.09100 -2.21500 1.000 H35 H -6.19600 -1.72000 -0.64700 1.000 H36 H -4.70200 -2.66300 -0.88500 1.000 H37 H -5.53800 -1.27600 1.71200 1.000 H38 H -5.62000 -3.02900 1.40000 1.000