# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQA' 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 5.51000 -0.66900 -0.25700 1.000 C1 C 4.57300 -1.17700 -1.15500 1.000 C2 C 3.26000 -0.82400 -1.06600 1.000 C3 C 2.84400 0.05500 -0.05700 1.000 C4 C 3.79400 0.57800 0.85400 1.000 C5 C 5.14000 0.19200 0.73200 1.000 C6 C 1.49100 0.45100 0.06400 1.000 C7 C 1.16000 1.32900 1.08500 1.000 C8 C 2.15000 1.79100 1.94100 1.000 N9 N 3.40300 1.42200 1.81500 1.000 Cl10 Cl 7.17400 -1.14100 -0.40000 1.000 N11 N 0.52500 -0.02800 -0.80800 1.000 C12 C -0.77300 0.49300 -0.77000 1.000 C13 C -0.96900 1.85900 -0.61200 1.000 C14 C -2.25000 2.37300 -0.57500 1.000 C15 C -3.34200 1.52500 -0.69900 1.000 C16 C -3.14700 0.16000 -0.85100 1.000 C17 C -1.86600 -0.35500 -0.88900 1.000 O18 O -4.60300 2.03200 -0.66200 1.000 C19 C -4.33400 -0.76000 -0.98100 1.000 N20 N -4.96300 -0.93600 0.33400 1.000 C21 C -6.21700 -1.66700 0.10800 1.000 C22 C -7.31200 -0.68400 -0.31200 1.000 C23 C -4.08700 -1.82900 1.10500 1.000 C24 C -4.54700 -1.85900 2.56400 1.000 H25 H 4.89100 -1.85800 -1.93000 1.000 H26 H 2.54200 -1.22400 -1.76700 1.000 H27 H 5.87800 0.57700 1.42100 1.000 H28 H 0.13800 1.65200 1.21300 1.000 H29 H 1.88100 2.47500 2.73300 1.000 H30 H 0.74900 -0.72500 -1.44500 1.000 H31 H -0.12000 2.51900 -0.51900 1.000 H32 H -2.40300 3.43500 -0.45200 1.000 H33 H -1.71500 -1.41800 -1.01100 1.000 H34 H -4.84400 2.24800 -1.57400 1.000 H35 H -4.00300 -1.72800 -1.35800 1.000 H36 H -5.05500 -0.32700 -1.67400 1.000 H37 H -6.51400 -2.17200 1.02700 1.000 H38 H -6.07000 -2.40500 -0.68100 1.000 H39 H -7.00800 -0.17000 -1.22300 1.000 H40 H -8.23900 -1.22800 -0.49300 1.000 H41 H -7.46900 0.04600 0.48200 1.000 H42 H -4.13600 -2.83400 0.68800 1.000 H43 H -3.06200 -1.46300 1.05500 1.000 H44 H -4.49900 -0.85300 2.98100 1.000 H45 H -5.57300 -2.22400 2.61400 1.000 H46 H -3.89700 -2.52100 3.13600 1.000