# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90E' 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 5.11600 -1.73900 -1.50700 1.000 C1 C 6.25000 -1.58300 -0.70300 1.000 F2 F 7.12300 -0.66800 -1.30100 1.000 C3 C 6.95500 -2.93300 -0.54600 1.000 N4 N 8.13400 -2.77400 0.31400 1.000 C5 C 7.75300 -2.32400 1.65900 1.000 C6 C 7.07300 -0.95600 1.56800 1.000 C7 C 5.83300 -1.06600 0.67600 1.000 N8 N 5.21000 0.25300 0.53800 1.000 C9 C 3.89700 0.35200 0.25400 1.000 O10 O 3.22800 -0.65400 0.11200 1.000 C11 C 3.26900 1.68300 0.11500 1.000 C12 C 1.90800 1.78800 -0.17400 1.000 C13 C 4.03400 2.83900 0.27800 1.000 C14 C 3.44600 4.08100 0.14800 1.000 C15 C 2.09900 4.18500 -0.14400 1.000 C16 C 1.32700 3.04000 -0.30300 1.000 N17 N -0.03700 3.15100 -0.59100 1.000 C18 C -0.90400 2.14100 -0.22800 1.000 S19 S -2.55600 2.07200 -0.66000 1.000 N20 N -0.57600 1.10500 0.48900 1.000 C21 C -1.51700 0.23300 0.74800 1.000 C22 C -2.73400 0.55100 0.21100 1.000 C23 C -3.96100 -0.23300 0.33300 1.000 O24 O -3.95800 -1.27400 0.96500 1.000 N25 N -5.09600 0.19600 -0.25300 1.000 C26 C -6.29600 -0.49100 -0.04000 1.000 C27 C -6.36000 -1.86300 -0.24900 1.000 Cl28 Cl -4.95000 -2.72900 -0.77500 1.000 C29 C -7.54800 -2.53800 -0.03800 1.000 C30 C -8.67100 -1.84900 0.38100 1.000 C31 C -8.61000 -0.48300 0.58900 1.000 C32 C -7.42500 0.19700 0.38600 1.000 C33 C -7.35900 1.68400 0.62000 1.000 H34 H 6.26900 -3.65000 -0.09400 1.000 H35 H 7.26600 -3.29600 -1.52600 1.000 H36 H 8.80300 -2.14300 -0.10200 1.000 H37 H 7.06400 -3.04400 2.10100 1.000 H38 H 8.64400 -2.24600 2.28200 1.000 H39 H 6.77600 -0.63000 2.56500 1.000 H40 H 7.76600 -0.23300 1.13900 1.000 H41 H 5.12200 -1.76000 1.12400 1.000 H42 H 5.74400 1.05500 0.65200 1.000 H43 H 1.31000 0.89700 -0.29700 1.000 H44 H 5.08700 2.76200 0.50600 1.000 H45 H 4.04000 4.97300 0.27400 1.000 H46 H 1.64300 5.15900 -0.24300 1.000 H47 H -0.37400 3.93800 -1.04800 1.000 H48 H -1.34700 -0.65900 1.33300 1.000 H49 H -5.08100 0.98100 -0.82300 1.000 H50 H -7.59800 -3.60500 -0.20100 1.000 H51 H -9.59800 -2.37900 0.54500 1.000 H52 H -9.49000 0.05200 0.91600 1.000 H53 H -7.61200 2.20800 -0.30100 1.000 H54 H -8.06700 1.96000 1.40100 1.000 H55 H -6.35100 1.95800 0.93000 1.000