# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CNQ' 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 -0.99400 0.05200 -4.83600 1.000 C1 C -1.96700 0.11900 -3.88400 1.000 C2 C -1.62600 0.10000 -2.52100 1.000 C3 C -0.26300 0.00400 -2.14500 1.000 C4 C 0.73000 -0.05800 -3.15400 1.000 C5 C 0.34700 -0.03500 -4.48700 1.000 N6 N -2.57200 0.16600 -1.57500 1.000 C7 C -2.23200 0.14700 -0.30900 1.000 C8 C -0.87900 0.05800 0.06700 1.000 N9 N 0.06800 -0.00600 -0.85300 1.000 C10 C 2.15600 -0.15200 -2.79000 1.000 N11 N 3.09500 -0.21600 -3.75500 1.000 O12 O 2.48500 -0.17100 -1.62000 1.000 C13 C -0.51400 0.03900 1.50300 1.000 C14 C 0.60600 0.73800 1.94900 1.000 C15 C 0.93800 0.72100 3.28800 1.000 C16 C 0.16800 0.00200 4.18600 1.000 C17 C -0.94200 -0.69800 3.74700 1.000 C18 C -1.28600 -0.68300 2.41200 1.000 Cl19 Cl 0.59500 -0.01900 5.86900 1.000 H20 H -1.27100 0.06800 -5.88000 1.000 H21 H -3.00400 0.18700 -4.17800 1.000 H22 H 1.09900 -0.08700 -5.26100 1.000 H23 H -2.99700 0.20000 0.45100 1.000 H24 H 4.03300 -0.27800 -3.51600 1.000 H25 H 2.83200 -0.20500 -4.68900 1.000 H26 H 1.20800 1.29900 1.25000 1.000 H27 H 1.80300 1.26700 3.63600 1.000 H28 H -1.53900 -1.25800 4.45200 1.000 H29 H -2.15300 -1.23000 2.07000 1.000