# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0JA' 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 -1.05900 -3.88500 1.92900 1.000 C1 C -0.58600 -2.62600 2.06100 1.000 C2 C 0.55500 -2.39100 2.80500 1.000 C3 C 1.04000 -1.10300 2.94200 1.000 C4 C 0.38300 -0.04400 2.33300 1.000 O5 O 0.86200 1.22100 2.46900 1.000 C6 C 2.07100 1.50700 1.92300 1.000 C7 C 2.64400 2.75800 2.13500 1.000 C8 C 3.86000 3.04700 1.58600 1.000 C9 C 4.51500 2.06300 0.81100 1.000 N10 N 5.70500 2.13100 0.18400 1.000 C11 C 6.10000 1.09600 -0.47100 1.000 N12 N 7.29500 1.00800 -1.16600 1.000 C13 C 7.61200 -0.12700 -1.82000 1.000 O14 O 6.85200 -1.07200 -1.79900 1.000 C15 C 8.91200 -0.22300 -2.57600 1.000 C16 C 9.98200 -1.16900 -2.02600 1.000 C17 C 9.21500 -1.53800 -3.29800 1.000 S18 S 4.90800 -0.19200 -0.35700 1.000 C19 C 3.87700 0.83000 0.64300 1.000 N20 N 2.69300 0.59400 1.20200 1.000 C21 C -0.76200 -0.27500 1.58600 1.000 C22 C -1.24500 -1.56800 1.44400 1.000 N23 N -2.40000 -1.80500 0.69000 1.000 C24 C -3.31000 -0.82500 0.52400 1.000 O25 O -3.17900 0.23200 1.11100 1.000 C26 C -4.46600 -1.03400 -0.37200 1.000 C27 C -4.62000 -2.24600 -1.04800 1.000 C28 C -5.70100 -2.43500 -1.88200 1.000 C29 C -6.63400 -1.42600 -2.05100 1.000 C30 C -6.48900 -0.22300 -1.38600 1.000 C31 C -5.41400 -0.02200 -0.54200 1.000 Cl32 Cl -5.23400 1.48900 0.29300 1.000 C33 C -7.51000 0.87000 -1.57700 1.000 C34 C -8.68300 0.58400 -2.51700 1.000 C35 C -8.91000 0.63700 -1.00400 1.000 C36 C -6.98300 2.24400 -1.54500 1.000 N37 N -6.57600 3.30400 -1.52100 1.000 H38 H 1.06800 -3.21400 3.28100 1.000 H39 H 1.93200 -0.92200 3.52400 1.000 H40 H 2.12700 3.49600 2.73000 1.000 H41 H 4.31600 4.01400 1.74300 1.000 H42 H 7.90300 1.76300 -1.18300 1.000 H43 H 9.25000 0.70000 -3.04900 1.000 H44 H 11.02400 -0.86900 -2.13600 1.000 H45 H 9.74500 -1.72200 -1.11700 1.000 H46 H 8.47400 -2.33400 -3.22500 1.000 H47 H 9.75200 -1.48000 -4.24400 1.000 H48 H -1.27400 0.54900 1.11200 1.000 H49 H -2.54600 -2.67500 0.28700 1.000 H50 H -3.89300 -3.03400 -0.91800 1.000 H51 H -5.82100 -3.37200 -2.40500 1.000 H52 H -7.47900 -1.58000 -2.70600 1.000 H53 H -9.06400 1.41400 -3.11200 1.000 H54 H -8.71600 -0.39400 -2.99700 1.000 H55 H -9.09200 -0.30700 -0.48900 1.000 H56 H -9.44000 1.50100 -0.60400 1.000