# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQ3' 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 7.67600 0.25400 -1.05100 1.000 N1 N 3.97400 -0.06600 -0.55400 1.000 O2 O 5.76500 -1.24500 0.01500 1.000 Cl3 Cl 0.82200 3.59500 0.57100 1.000 C4 C 6.22700 0.71600 -1.21300 1.000 N5 N 1.44200 0.66200 0.39300 1.000 O6 O -7.06900 -1.00100 -0.95200 1.000 C7 C 5.30700 -0.26900 -0.54000 1.000 N8 N -2.53900 1.56100 0.27100 1.000 C9 C 3.11200 -1.03900 -0.03400 1.000 N10 N -0.82000 0.01400 0.24200 1.000 C11 C 3.51100 -2.36600 0.01900 1.000 N12 N -3.03400 -0.71500 0.08700 1.000 C13 C 2.65800 -3.32500 0.53300 1.000 C14 C 1.40500 -2.96600 0.99400 1.000 C15 C 0.99800 -1.64600 0.94500 1.000 C16 C 1.85000 -0.67600 0.43800 1.000 C17 C 0.09200 0.97500 0.35200 1.000 C18 C -0.33000 2.30500 0.42700 1.000 C19 C -1.68600 2.56900 0.38200 1.000 C20 C -2.11000 0.31000 0.20300 1.000 C21 C -4.46600 -0.40900 0.04200 1.000 C22 C -5.26500 -1.62100 0.53100 1.000 C23 C -6.76000 -1.32100 0.40600 1.000 C24 C -6.38700 0.15300 -1.44900 1.000 C25 C -4.87600 -0.08900 -1.39900 1.000 H26 H 8.34100 0.96700 -1.53800 1.000 H27 H 7.92200 0.19400 0.00900 1.000 H28 H 7.79800 -0.72800 -1.50900 1.000 H29 H 3.61300 0.75400 -0.92500 1.000 H30 H 6.10500 1.69800 -0.75600 1.000 H31 H 5.98100 0.77700 -2.27400 1.000 H32 H 2.10500 1.37100 0.39000 1.000 H33 H 4.48900 -2.65000 -0.34100 1.000 H34 H -2.73300 -1.63600 0.03600 1.000 H35 H 2.97100 -4.35800 0.57300 1.000 H36 H 0.74300 -3.71900 1.39400 1.000 H37 H 0.01900 -1.36900 1.30700 1.000 H38 H -2.04600 3.58600 0.43700 1.000 H39 H -4.67500 0.44800 0.68100 1.000 H40 H -5.01600 -2.49100 -0.07700 1.000 H41 H -5.01900 -1.82200 1.57400 1.000 H42 H -7.01600 -0.47600 1.04600 1.000 H43 H -7.33400 -2.19500 0.71200 1.000 H44 H -6.69100 0.33900 -2.47900 1.000 H45 H -6.63800 1.01700 -0.83400 1.000 H46 H -4.35300 0.80600 -1.73600 1.000 H47 H -4.61900 -0.92800 -2.04600 1.000