# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4Q' 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 3.77200 1.86400 0.31300 1.000 C1 C 2.76900 1.57800 1.23600 1.000 C2 C 2.09200 0.39400 1.16200 1.000 C3 C 1.78800 -1.74300 -0.00000 1.000 N4 N 4.09400 1.02200 -0.63900 1.000 C5 C 2.15400 -2.58700 -1.00400 1.000 C6 C 3.16800 -2.24100 -1.89600 1.000 C7 C 3.82100 -1.05200 -1.78900 1.000 C8 C 3.47100 -0.15300 -0.76700 1.000 C9 C 1.00200 0.06200 2.14900 1.000 C10 C -1.36100 -0.45000 2.28400 1.000 N11 N -0.30800 0.20700 1.49900 1.000 C12 C 2.44000 -0.50700 0.13900 1.000 C13 C -1.84300 -1.70000 1.54500 1.000 N14 N -3.29000 -1.60200 1.31100 1.000 C15 C -3.61300 -1.85300 -0.10000 1.000 N16 N -3.82400 -0.10100 -1.79800 1.000 C17 C -4.48200 -0.71300 -0.63500 1.000 N18 N -1.76200 2.51700 -0.70800 1.000 C19 C -3.70900 1.35400 -1.63200 1.000 C20 C -2.26100 1.78300 -1.87900 1.000 C21 C -0.50200 1.93800 -0.22300 1.000 C22 C -0.62800 1.62200 1.26900 1.000 H23 H 4.29600 2.80600 0.38100 1.000 H24 H 2.52600 2.29200 2.01000 1.000 H25 H 1.00100 -2.02200 0.68400 1.000 H26 H 1.65200 -3.53800 -1.11000 1.000 H27 H 3.43900 -2.92800 -2.68300 1.000 H28 H 4.60400 -0.80000 -2.48900 1.000 H29 H -0.96300 -0.73500 3.25900 1.000 H30 H -2.19500 0.23700 2.42000 1.000 H31 H -1.32500 -1.78000 0.59000 1.000 H32 H -1.63200 -2.58300 2.14800 1.000 H33 H -2.69100 -1.91000 -0.67900 1.000 H34 H -5.45400 -1.10500 -0.93300 1.000 H35 H -4.36300 1.85400 -2.34700 1.000 H36 H -4.00200 1.62900 -0.61900 1.000 H37 H -2.21800 2.42700 -2.75700 1.000 H38 H -1.64400 0.90000 -2.04500 1.000 H39 H -0.28800 1.02000 -0.77100 1.000 H40 H 0.30800 2.65000 -0.37600 1.000 H41 H -1.64700 1.82200 1.59800 1.000 H42 H 0.06500 2.24700 1.83200 1.000 H43 H -4.15600 -2.79400 -0.18600 1.000 H44 H -4.61600 0.03800 0.14300 1.000 H45 H 1.12500 -0.96400 2.49400 1.000 H46 H 1.06300 0.74100 2.99900 1.000 H47 H -3.79800 -2.23000 1.91500 1.000 H48 H -2.92100 -0.51800 -1.96400 1.000 H49 H -1.65200 3.49800 -0.91600 1.000