# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JZQ' 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 6.84300 2.30000 0.45300 1.000 F1 F 6.99100 -2.39100 -0.24900 1.000 O2 O 5.54900 -0.11700 0.29200 1.000 O3 O 2.97800 -0.25900 0.69500 1.000 C4 C 3.27500 -0.07500 -0.46700 1.000 C5 C 4.72400 0.03000 -0.86600 1.000 C6 C 9.63400 0.09700 -0.27700 1.000 C7 C 8.91400 1.24600 -0.00500 1.000 C8 C 7.54500 1.17700 0.18600 1.000 C9 C 6.89500 -0.04700 0.10400 1.000 C10 C 7.62000 -1.19800 -0.16900 1.000 C11 C 8.98900 -1.12300 -0.35900 1.000 C12 C -1.35400 -0.75500 -1.78300 1.000 N13 N 2.30900 0.03400 -1.40000 1.000 O14 O -2.23900 -0.05900 -2.23300 1.000 C15 C 0.07300 -0.53200 -2.21300 1.000 C16 C 1.13000 1.70000 0.71100 1.000 C17 C 0.39900 1.29900 -0.54400 1.000 C18 C 2.47200 2.43500 3.01400 1.000 C19 C 0.90000 -0.06900 -1.01200 1.000 O20 O 0.11200 0.46900 -3.23300 1.000 C21 C 2.30800 2.41800 0.62500 1.000 C22 C 0.62000 1.35400 1.94800 1.000 C23 C 2.97900 2.78600 1.77700 1.000 C24 C 1.29300 1.71700 3.10000 1.000 C25 C -3.54100 -0.75300 0.22100 1.000 N26 N -1.64700 -1.73000 -0.89900 1.000 O27 O -2.77700 0.10600 0.60800 1.000 C28 C -3.00500 -1.99200 -0.44900 1.000 C29 C -3.09900 -3.17300 0.54400 1.000 C30 C -0.61300 -2.60900 -0.31900 1.000 C31 C -4.35000 -4.01400 0.28100 1.000 C32 C -3.06600 -2.67900 1.99200 1.000 S33 S -1.57100 -4.11500 0.13100 1.000 N34 N -4.86900 -0.59900 0.39000 1.000 O35 O -6.97500 -1.05000 1.89900 1.000 C36 C -5.39000 0.60600 1.04100 1.000 C37 C -5.58000 1.71200 0.02400 1.000 C38 C -4.65600 2.56100 -0.56100 1.000 C39 C -5.06700 3.50900 -1.47800 1.000 C40 C -6.79800 0.33900 1.61500 1.000 C41 C -6.91800 1.81400 -0.31100 1.000 C42 C -7.32700 2.76500 -1.23000 1.000 C43 C -6.40400 3.61100 -1.81300 1.000 C44 C -7.71700 0.78300 0.45700 1.000 H45 H 4.90600 1.00400 -1.32000 1.000 H46 H 4.96200 -0.75500 -1.58400 1.000 H47 H 10.70100 0.15400 -0.42900 1.000 H48 H 9.42100 2.19700 0.05900 1.000 H49 H 9.55400 -2.01900 -0.57200 1.000 H50 H 2.54700 0.18100 -2.32900 1.000 H51 H 0.48600 -1.46300 -2.60100 1.000 H52 H 0.58300 2.03900 -1.32300 1.000 H53 H -0.67000 1.24400 -0.34000 1.000 H54 H 2.99600 2.72100 3.91400 1.000 H55 H 0.79900 -0.79000 -0.20100 1.000 H56 H -0.24000 1.32600 -2.95600 1.000 H57 H 2.70500 2.69200 -0.34100 1.000 H58 H -0.30200 0.79600 2.01500 1.000 H59 H 3.90000 3.34600 1.71000 1.000 H60 H 0.89700 1.44300 4.06600 1.000 H61 H -3.62600 -2.21300 -1.31700 1.000 H62 H -0.17100 -2.15300 0.56700 1.000 H63 H 0.15400 -2.84400 -1.05700 1.000 H64 H -4.33100 -4.90100 0.91400 1.000 H65 H -5.23900 -3.42400 0.50900 1.000 H66 H -4.37300 -4.31400 -0.76600 1.000 H67 H -2.19100 -2.04600 2.13900 1.000 H68 H -3.96900 -2.10400 2.20000 1.000 H69 H -3.01600 -3.53300 2.66600 1.000 H70 H -5.48100 -1.28500 0.08000 1.000 H71 H -7.84400 -1.27000 2.26200 1.000 H72 H -4.71300 0.93100 1.83100 1.000 H73 H -3.61200 2.48200 -0.30000 1.000 H74 H -4.34400 4.17000 -1.93300 1.000 H75 H -6.97300 0.94100 2.50600 1.000 H76 H -8.37200 2.84500 -1.49200 1.000 H77 H -6.72700 4.35200 -2.53000 1.000 H78 H -7.95600 -0.06500 -0.18400 1.000 H79 H -8.63100 1.23000 0.85000 1.000