# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FXS' 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 2.30400 5.12900 -0.19200 1.000 C1 C 2.80700 3.84400 -0.29500 1.000 C2 C 1.94900 2.77300 -0.43900 1.000 C3 C 0.93800 5.34900 -0.22700 1.000 C4 C 0.06900 4.28700 -0.36400 1.000 C5 C 0.57000 2.98900 -0.48000 1.000 C6 C -0.35500 1.84600 -0.62800 1.000 O7 O -1.16200 1.83200 -1.53500 1.000 O8 O -0.30300 0.82100 0.24400 1.000 C9 C -1.18200 -0.19800 0.05200 1.000 C10 C -2.43400 -0.15900 0.65100 1.000 Br11 Br -2.91800 1.31100 1.73700 1.000 C12 C -3.32600 -1.19600 0.45300 1.000 C13 C -2.97100 -2.27200 -0.34100 1.000 Br14 Br -4.19400 -3.68900 -0.61000 1.000 C15 C -1.72500 -2.31200 -0.93900 1.000 C16 C -0.83200 -1.27500 -0.74900 1.000 C17 C 0.52400 -1.31700 -1.40600 1.000 N18 N 1.52400 -1.76200 -0.43300 1.000 C19 C 2.81600 -1.87600 -0.79900 1.000 O20 O 3.15100 -1.60900 -1.93700 1.000 C21 C 3.82600 -2.32500 0.18200 1.000 C22 C 4.98200 -1.57100 0.39400 1.000 N23 N 5.20000 -0.31900 -0.36400 1.000 O24 O 4.31600 0.12300 -1.07700 1.000 O25 O 6.26200 0.27000 -0.27500 1.000 C26 C 3.62600 -3.50200 0.90600 1.000 C27 C 4.57200 -3.91500 1.82100 1.000 C28 C 5.71800 -3.16600 2.02100 1.000 C29 C 5.92000 -1.99600 1.31200 1.000 N30 N -1.39200 4.52400 -0.40100 1.000 O31 O -2.16200 3.58100 -0.40300 1.000 O32 O -1.82300 5.66300 -0.43000 1.000 H33 H 2.98000 5.96300 -0.08000 1.000 H34 H 3.87400 3.67900 -0.26300 1.000 H35 H 2.34300 1.77100 -0.51900 1.000 H36 H 0.55200 6.35400 -0.14600 1.000 H37 H -4.29900 -1.16600 0.91900 1.000 H38 H -1.45100 -3.15300 -1.55900 1.000 H39 H 0.49900 -2.01200 -2.24600 1.000 H40 H 0.78400 -0.32200 -1.76600 1.000 H41 H 1.25700 -1.97500 0.47500 1.000 H42 H 2.73100 -4.08700 0.75100 1.000 H43 H 4.41800 -4.82500 2.38100 1.000 H44 H 6.45600 -3.49400 2.73900 1.000 H45 H 6.81500 -1.41400 1.47600 1.000