# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C7Q' 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 1.32700 -2.26100 2.17900 1.000 C1 C 1.91700 -2.20000 0.92500 1.000 C2 C 2.15900 -0.96700 0.33400 1.000 C3 C 1.80900 0.19500 0.99400 1.000 C4 C 1.21500 0.13200 2.24000 1.000 C5 C 0.97400 -1.09500 2.83200 1.000 O6 O 2.25300 -3.34700 0.27500 1.000 C7 C 1.17900 -4.23600 -0.04400 1.000 C8 C 0.81200 1.39900 2.94900 1.000 C9 C 0.12000 2.33800 1.96000 1.000 N10 N -1.26000 1.86600 1.72600 1.000 C11 C 0.87900 2.34500 0.65800 1.000 C12 C -1.42200 0.95200 0.72700 1.000 C13 C -2.79100 0.59100 0.30200 1.000 O14 O -0.45600 0.44100 0.19400 1.000 N15 N 0.24000 2.06500 -0.49600 1.000 C16 C 1.00200 1.92100 -1.73900 1.000 C17 C 2.27500 2.72500 -1.81800 1.000 N18 N 2.36400 3.84300 -1.20300 1.000 O19 O 2.06400 2.60300 0.64700 1.000 C20 C 0.98700 0.55300 -2.42300 1.000 C21 C 0.21100 1.72200 -3.03300 1.000 C22 C -3.88600 1.27500 0.82900 1.000 C23 C -5.16100 0.95200 0.41400 1.000 C24 C -5.35500 -0.04900 -0.52100 1.000 C25 C -4.27400 -0.73500 -1.04300 1.000 C26 C -2.99400 -0.42400 -0.63500 1.000 C27 C -1.82000 -1.18600 -1.19200 1.000 C28 C -2.13900 -2.68200 -1.19000 1.000 Cl29 Cl 2.90100 -0.88700 -1.23400 1.000 C30 C 0.13300 -3.49700 -0.83600 1.000 C31 C -1.09800 -3.42200 -0.39200 1.000 H32 H 1.13900 -3.21800 2.64200 1.000 H33 H 2.00100 1.15400 0.53500 1.000 H34 H 0.51700 -1.14100 3.81000 1.000 H35 H 1.56100 -5.06900 -0.63400 1.000 H36 H 0.73600 -4.61600 0.87700 1.000 H37 H 0.12700 1.15800 3.76200 1.000 H38 H 1.69900 1.88700 3.35400 1.000 H39 H 0.09600 3.34700 2.37200 1.000 H40 H -2.00800 2.18800 2.25300 1.000 H41 H -0.72400 1.95800 -0.50300 1.000 H42 H 3.11100 2.35600 -2.39400 1.000 H43 H 3.15500 4.39400 -1.31200 1.000 H44 H 1.89700 0.23300 -2.93000 1.000 H45 H 0.40900 -0.24100 -1.94800 1.000 H46 H -0.87600 1.69800 -2.96000 1.000 H47 H 0.61100 2.17200 -3.94200 1.000 H48 H -3.73600 2.05600 1.56100 1.000 H49 H -6.01000 1.48200 0.82100 1.000 H50 H -6.35600 -0.29500 -0.84500 1.000 H51 H -4.43200 -1.51700 -1.77100 1.000 H52 H -1.62500 -0.85800 -2.21300 1.000 H53 H -0.94100 -1.00200 -0.57600 1.000 H54 H -3.12100 -2.84300 -0.74400 1.000 H55 H -2.14300 -3.05400 -2.21500 1.000 H56 H 0.39600 -3.03000 -1.77400 1.000 H57 H -1.36600 -3.88700 0.54500 1.000