# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FXA' 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 -3.83100 3.40000 0.75500 1.000 C1 C -3.62500 2.57100 -0.33300 1.000 C2 C -2.42400 1.90300 -0.47700 1.000 C3 C 0.91400 1.89900 0.88000 1.000 C4 C 2.21500 1.24100 0.64700 1.000 C5 C 3.36000 1.70000 1.30300 1.000 C6 C 4.57200 1.08400 1.08300 1.000 C7 C 4.65700 0.00600 0.20800 1.000 C8 C 3.51900 -0.45400 -0.44700 1.000 N9 N 5.88700 -0.61600 -0.01400 1.000 C10 C 6.07000 -1.89000 0.38200 1.000 C11 C 7.30500 -2.52400 0.16300 1.000 C12 C 6.88600 0.07000 -0.63200 1.000 C13 C 8.08700 -0.51300 -0.85700 1.000 C14 C -3.99000 -3.18100 0.53500 1.000 C15 C -1.42300 2.06600 0.47200 1.000 C16 C -1.63300 2.90000 1.56300 1.000 C17 C -2.83600 3.56400 1.70100 1.000 S18 S -2.16300 0.84700 -1.86200 1.000 N19 N -2.00400 -0.69500 -1.27900 1.000 N20 N -0.20600 1.39100 0.33000 1.000 O21 O 0.85400 2.89900 1.57000 1.000 C22 C 2.30300 0.15400 -0.22700 1.000 O23 O 5.16300 -2.49400 0.93200 1.000 C24 C 8.30900 -1.83700 -0.45200 1.000 C25 C -3.08000 -1.31900 -0.65800 1.000 C26 C -2.91100 -2.57300 -0.08000 1.000 C27 C -5.20800 -2.51200 0.55200 1.000 C28 C -5.30400 -1.26900 -0.04200 1.000 N29 N -4.25700 -0.71300 -0.62200 1.000 Cl30 Cl -6.59400 -3.23200 1.31000 1.000 O31 O -3.36700 0.86800 -2.61600 1.000 O32 O -0.89900 1.20300 -2.40600 1.000 H33 H -4.76900 3.92400 0.86300 1.000 H34 H -4.40400 2.44500 -1.07000 1.000 H35 H 3.29500 2.53800 1.98200 1.000 H36 H 5.45700 1.43900 1.58900 1.000 H37 H 3.58900 -1.29100 -1.12500 1.000 H38 H 7.45700 -3.54600 0.47900 1.000 H39 H 6.72000 1.08900 -0.94500 1.000 H40 H 8.87200 0.04100 -1.34900 1.000 H41 H -3.88900 -4.15600 0.98800 1.000 H42 H -0.85700 3.02800 2.30300 1.000 H43 H -3.00000 4.21200 2.54900 1.000 H44 H -1.15900 -1.16400 -1.37100 1.000 H45 H -0.16900 0.55800 -0.16600 1.000 H46 H 1.41900 -0.20700 -0.73200 1.000 H47 H 9.26500 -2.30800 -0.62800 1.000 H48 H -1.95000 -3.06400 -0.11100 1.000 H49 H -6.24900 -0.74500 -0.03200 1.000