# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQE' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F0 F 3.35300 1.06400 1.64500 1.000 C1 C 4.23300 0.11400 1.26000 1.000 C2 C 4.26000 -1.10800 1.91100 1.000 C3 C 5.16000 -2.08000 1.51700 1.000 C4 C 6.03400 -1.83200 0.47300 1.000 F5 F 6.91400 -2.78300 0.08800 1.000 C6 C 6.00700 -0.61000 -0.17800 1.000 C7 C 5.10300 0.36000 0.21200 1.000 S8 S 5.06300 1.91200 -0.62100 1.000 O9 O 5.07500 2.91000 0.39000 1.000 O10 O 6.03700 1.83900 -1.65300 1.000 N11 N 3.59200 2.02600 -1.37400 1.000 C12 C 2.42100 2.10500 -0.61300 1.000 C13 C 1.47200 1.09400 -0.69100 1.000 F14 F 1.67800 0.03300 -1.50200 1.000 C15 C 2.21000 3.19100 0.22600 1.000 C16 C 1.05400 3.27300 0.98100 1.000 C17 C 0.10300 2.27700 0.90600 1.000 C18 C 0.30700 1.17800 0.07000 1.000 C19 C -0.71100 0.10400 -0.00800 1.000 N20 N -0.41900 -1.18000 0.10700 1.000 C21 C -1.39400 -2.01900 0.02200 1.000 C22 C -1.24600 -3.51500 0.12900 1.000 C23 C -2.07700 -4.02800 1.30900 1.000 C24 C -1.97100 -5.55300 1.37500 1.000 C25 C -1.74400 -4.17200 -1.16100 1.000 C26 C -1.64900 -5.69300 -1.02200 1.000 N27 N -2.46100 -6.13400 0.11900 1.000 C28 C -3.88000 -5.81600 -0.09100 1.000 C29 C -4.54300 -6.35100 -1.36100 1.000 C30 C -4.88200 -6.96800 -0.00300 1.000 S31 S -2.87600 -1.20700 -0.22900 1.000 C32 C -2.04800 0.34800 -0.20100 1.000 C33 C -2.67800 1.67300 -0.35900 1.000 C34 C -3.85800 1.99300 0.32200 1.000 C35 C -2.10700 2.64800 -1.19000 1.000 C36 C -2.72600 3.87200 -1.31000 1.000 N37 N -3.84200 4.13800 -0.65600 1.000 C38 C -4.41500 3.25100 0.14400 1.000 N39 N -5.59100 3.58500 0.81400 1.000 C40 C -6.19800 4.76200 0.56300 1.000 O41 O -5.76700 5.49400 -0.30200 1.000 C42 C -7.41200 5.16800 1.35900 1.000 H43 H 3.57900 -1.30100 2.72600 1.000 H44 H 5.18100 -3.03300 2.02500 1.000 H45 H 6.68900 -0.41700 -0.99200 1.000 H46 H 3.54300 2.03900 -2.34200 1.000 H47 H 2.95000 3.97500 0.28900 1.000 H48 H 0.89500 4.12000 1.63200 1.000 H49 H -0.79800 2.34500 1.49800 1.000 H50 H -0.19700 -3.76700 0.28600 1.000 H51 H -1.69900 -3.59600 2.23500 1.000 H52 H -3.11900 -3.74000 1.17100 1.000 H53 H -2.78200 -3.88700 -1.33700 1.000 H54 H -1.12900 -3.84300 -1.99800 1.000 H55 H -0.93000 -5.83900 1.52600 1.000 H56 H -2.57300 -5.92300 2.20500 1.000 H57 H -2.01600 -6.16500 -1.93400 1.000 H58 H -0.60900 -5.97800 -0.86000 1.000 H59 H -4.20100 -4.84000 0.27200 1.000 H60 H -5.30200 -5.72700 -1.83400 1.000 H61 H -3.92700 -6.94000 -2.04100 1.000 H62 H -4.48900 -7.96200 0.21100 1.000 H63 H -5.86400 -6.75000 0.41800 1.000 H64 H -4.32800 1.27200 0.97400 1.000 H65 H -1.19400 2.44100 -1.72900 1.000 H66 H -2.29100 4.62800 -1.94800 1.000 H67 H -5.97200 2.97100 1.46100 1.000 H68 H -7.64800 4.38900 2.08400 1.000 H69 H -7.20800 6.10200 1.88200 1.000 H70 H -8.25800 5.30600 0.68500 1.000