# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HQ' 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 1.59200 5.40100 2.83600 1.000 C1 C 0.97200 4.89200 1.53400 1.000 N2 N 1.61300 3.63200 1.14800 1.000 C3 C 1.22600 2.99500 0.02500 1.000 O4 O 0.34700 3.46500 -0.66600 1.000 C5 C 1.88600 1.70000 -0.37200 1.000 C6 C 3.38400 1.93300 -0.57700 1.000 C7 C 1.26600 1.19000 -1.67500 1.000 N8 N -0.16300 0.92600 -1.47500 1.000 C9 C 1.92100 -0.10600 -2.07900 1.000 N10 N 2.58200 -0.35200 -3.17400 1.000 N11 N 2.95700 -1.58500 -3.18500 1.000 C12 C 2.56200 -2.18000 -2.09000 1.000 C13 C 2.78300 -3.62600 -1.72500 1.000 N14 N 1.91400 -1.24700 -1.34400 1.000 C15 C 1.37800 -1.39500 -0.06400 1.000 C16 C 2.03600 -2.22700 0.83200 1.000 C17 C 1.56100 -2.38000 2.12500 1.000 O18 O 2.20900 -3.19700 2.99500 1.000 C19 C 1.66300 -3.30700 4.31100 1.000 C20 C 0.42100 -1.69600 2.53000 1.000 C21 C -0.24600 -0.88100 1.64700 1.000 C22 C 0.21300 -0.72900 0.32900 1.000 C23 C -0.58400 0.09300 -0.58700 1.000 C24 C -2.05400 -0.05300 -0.47800 1.000 C25 C -2.89200 0.99100 -0.87000 1.000 C26 C -4.26000 0.85000 -0.76600 1.000 C27 C -4.80200 -0.32600 -0.27500 1.000 Cl28 Cl -6.52500 -0.49400 -0.14200 1.000 C29 C -3.97500 -1.36500 0.11500 1.000 C30 C -2.60600 -1.23700 0.01100 1.000 H31 H 1.44300 4.66200 3.62300 1.000 H32 H 2.65900 5.56700 2.69000 1.000 H33 H 1.11400 6.33800 3.12400 1.000 H34 H -0.09500 4.72600 1.68000 1.000 H35 H 1.12000 5.63100 0.74700 1.000 H36 H 2.31700 3.25700 1.70000 1.000 H37 H 1.73800 0.96100 0.41400 1.000 H38 H 3.53300 2.67200 -1.36400 1.000 H39 H 3.82600 2.29600 0.35100 1.000 H40 H 3.86200 0.99600 -0.86500 1.000 H41 H 1.39900 1.93200 -2.46200 1.000 H42 H 3.72200 -3.72400 -1.18100 1.000 H43 H 1.96100 -3.97100 -1.09600 1.000 H44 H 2.82400 -4.22800 -2.63200 1.000 H45 H 2.92300 -2.75800 0.52000 1.000 H46 H 1.65300 -2.32400 4.78400 1.000 H47 H 0.64500 -3.69100 4.25100 1.000 H48 H 2.27400 -3.98800 4.90300 1.000 H49 H 0.05700 -1.80500 3.54100 1.000 H50 H -1.13000 -0.35300 1.96900 1.000 H51 H -2.47000 1.90900 -1.25300 1.000 H52 H -4.91000 1.65800 -1.06900 1.000 H53 H -4.40300 -2.28000 0.49800 1.000 H54 H -1.96100 -2.04900 0.31600 1.000