# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJE' 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 0.54000 4.28700 -0.67600 1.000 C1 C -0.25900 3.13300 -0.06800 1.000 C2 C -1.37900 0.67800 0.10200 1.000 C3 C 0.78500 -0.38300 0.17000 1.000 C4 C 6.37700 -0.19700 1.09300 1.000 C5 C 7.16100 -1.11600 0.42100 1.000 C6 C 6.57000 -2.12900 -0.31100 1.000 Cl7 Cl 4.45300 -3.50100 -1.29300 1.000 C8 C 5.19300 -2.22700 -0.37400 1.000 C9 C 4.99800 -0.29100 1.03900 1.000 F10 F 4.23200 0.60500 1.70000 1.000 C11 C 4.40100 -1.30600 0.29900 1.000 N12 N 3.00500 -1.40100 0.23800 1.000 C13 C 2.25400 -0.28300 0.19400 1.000 O14 O 2.79000 0.80900 0.17600 1.000 C15 C 0.00100 0.77900 0.12500 1.000 O16 O 0.59400 2.00000 0.10300 1.000 C17 C -0.81800 3.56000 1.29100 1.000 F18 F 1.05100 3.89600 -1.91900 1.000 F19 F -0.29500 5.39600 -0.84300 1.000 F20 F 1.59700 4.62300 0.17700 1.000 C21 C 0.16700 -1.63800 0.19200 1.000 C22 C -1.20700 -1.72700 0.16900 1.000 F23 F -1.80400 -2.94000 0.18900 1.000 C24 C -1.98500 -0.57100 0.12300 1.000 N25 N -3.37800 -0.66900 0.10000 1.000 N26 N -4.22100 -0.79000 1.21300 1.000 C27 C -4.16200 -0.66000 -0.99800 1.000 O28 O -3.78500 -0.56400 -2.15200 1.000 N29 N -5.43900 -0.77600 -0.58300 1.000 C30 C -6.62200 -0.80900 -1.44600 1.000 C31 C -6.93100 -2.25700 -1.83200 1.000 C32 C -5.44200 -0.85400 0.78900 1.000 C33 C -6.66700 -0.98900 1.65700 1.000 O34 O -6.27400 -1.03500 3.03000 1.000 H35 H -1.08200 2.87100 -0.73300 1.000 H36 H -1.98500 1.57100 0.07100 1.000 H37 H 6.84100 0.59400 1.66400 1.000 H38 H 8.23700 -1.04200 0.46800 1.000 H39 H 7.18600 -2.84500 -0.83500 1.000 H40 H 2.57900 -2.27300 0.22600 1.000 H41 H -1.46900 4.42500 1.16100 1.000 H42 H -1.38700 2.73800 1.72500 1.000 H43 H 0.00500 3.82200 1.95600 1.000 H44 H 0.76600 -2.53600 0.22600 1.000 H45 H -7.47300 -0.38600 -0.91300 1.000 H46 H -6.43100 -0.22500 -2.34700 1.000 H47 H -6.08000 -2.68000 -2.36600 1.000 H48 H -7.12200 -2.84100 -0.93200 1.000 H49 H -7.81100 -2.28200 -2.47500 1.000 H50 H -7.32300 -0.13300 1.49500 1.000 H51 H -7.19600 -1.90600 1.39900 1.000 H52 H -7.01300 -1.12100 3.64800 1.000