# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CTU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.81600 -4.85300 -0.15300 1.000 C1 C -0.04600 -3.96400 -0.46300 1.000 N2 N 1.20300 -3.76600 0.02200 1.000 O3 O -0.26400 -2.98700 -1.35800 1.000 N4 N 0.69500 -2.25500 -1.44400 1.000 C5 C 1.65600 -2.63200 -0.64500 1.000 C6 C 2.96200 -1.98800 -0.48500 1.000 C7 C 4.21600 -2.71700 -0.89200 1.000 C8 C 3.04200 -0.73300 0.03000 1.000 C9 C 4.34500 -0.04100 0.06200 1.000 C10 C 5.43800 -0.56300 0.74800 1.000 C11 C 6.63700 0.12200 0.72400 1.000 C12 C 6.74400 1.31300 0.02200 1.000 F13 F 7.92400 1.97100 -0.00200 1.000 C14 C 5.65500 1.83600 -0.65600 1.000 C15 C 4.44300 1.16000 -0.62900 1.000 O16 O 3.35400 1.67200 -1.23500 1.000 C17 C 2.31000 2.23400 -0.48100 1.000 C18 C 1.50000 1.24600 0.31600 1.000 C19 C 0.31700 1.75000 0.85600 1.000 C20 C 1.82100 -0.07800 0.54500 1.000 C21 C 0.96500 -0.88200 1.31500 1.000 C22 C -0.19600 -0.36700 1.84400 1.000 C23 C -0.52100 0.95800 1.60900 1.000 C24 C -1.79200 1.53600 2.17700 1.000 C25 C -2.91400 1.34800 1.19000 1.000 C26 C -3.27300 2.20700 0.21000 1.000 C27 C -2.61300 3.53000 -0.08400 1.000 C28 C -3.29300 4.44700 -1.10300 1.000 C29 C -1.99900 3.71900 -1.47300 1.000 N30 N -3.75800 0.27300 1.11300 1.000 C31 C -3.85300 -0.87900 1.83900 1.000 C32 C -4.79800 -1.79800 1.54900 1.000 C33 C -5.69900 -1.58000 0.49300 1.000 C34 C -5.61500 -0.43500 -0.23800 1.000 Cl35 Cl -6.72100 -0.14700 -1.54600 1.000 C36 C -4.62200 0.51500 0.07800 1.000 N37 N -4.31000 1.68900 -0.45200 1.000 H38 H 1.67500 -4.29400 0.68500 1.000 H39 H 4.44100 -2.49900 -1.93600 1.000 H40 H 5.04600 -2.38900 -0.26600 1.000 H41 H 4.06900 -3.79000 -0.76800 1.000 H42 H 5.34900 -1.49200 1.29300 1.000 H43 H 7.49200 -0.27100 1.25400 1.000 H44 H 5.74900 2.76300 -1.20100 1.000 H45 H 2.74000 2.96100 0.20800 1.000 H46 H 1.63900 2.76300 -1.15800 1.000 H47 H 0.05300 2.78200 0.68000 1.000 H48 H 1.22000 -1.91600 1.49400 1.000 H49 H -0.84900 -0.99100 2.43500 1.000 H50 H -2.03800 1.02600 3.10900 1.000 H51 H -1.65300 2.59900 2.37200 1.000 H52 H -2.10700 4.00000 0.75800 1.000 H53 H -4.21700 4.09400 -1.56000 1.000 H54 H -3.23400 5.52200 -0.93000 1.000 H55 H -1.08900 4.31400 -1.54400 1.000 H56 H -2.07200 2.88700 -2.17300 1.000 H57 H -3.16500 -1.05800 2.65200 1.000 H58 H -4.86100 -2.70600 2.13100 1.000 H59 H -6.45400 -2.31700 0.26300 1.000