# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FXI' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -0.09100 1.42300 -0.29500 1.000 C1 C -0.62900 2.16500 -1.28400 1.000 O2 O 0.03100 2.44000 -2.26300 1.000 C3 C -4.38400 -1.29100 0.31300 1.000 C4 C -4.59100 -2.08300 1.43500 1.000 C5 C -4.88100 -3.42500 1.28600 1.000 C6 C -4.96500 -3.98100 0.02100 1.000 C7 C -4.75900 -3.19300 -1.09800 1.000 C8 C -4.46800 -1.85000 -0.95500 1.000 C9 C -4.72100 3.22400 0.81100 1.000 C10 C -2.73300 3.13800 -2.45200 1.000 C11 C -2.05000 2.65200 -1.17200 1.000 N12 N -2.88000 1.95700 -0.18400 1.000 C13 C -3.31700 2.65600 1.02700 1.000 C14 C -3.24200 0.67500 -0.39000 1.000 O15 O -2.80000 0.06400 -1.34300 1.000 N16 N -4.09500 0.07100 0.46100 1.000 Cl17 Cl -5.32900 -5.66800 -0.16200 1.000 C18 C -6.58100 4.52100 1.85900 1.000 C19 C -5.17700 3.95400 2.07600 1.000 C20 C 2.10000 1.50600 -1.30600 1.000 C21 C 1.20200 0.90500 -0.43300 1.000 C22 C 1.58600 -0.21100 0.30500 1.000 C23 C 2.86100 -0.72200 0.17000 1.000 C24 C 3.76300 -0.11900 -0.70600 1.000 C25 C 3.37300 0.99400 -1.44800 1.000 F26 F 0.71100 -0.79300 1.15300 1.000 C27 C 5.55700 -1.17700 -2.07900 1.000 C28 C 5.13500 -0.66600 -0.85200 1.000 C29 C 6.00500 -0.67000 0.23500 1.000 C30 C 7.28000 -1.18000 0.09300 1.000 C31 C 7.69400 -1.68600 -1.12600 1.000 C32 C 6.83200 -1.68800 -2.20800 1.000 S33 S 5.48100 -0.02600 1.78900 1.000 C34 C -2.30400 4.14600 -1.38300 1.000 O35 O 4.27100 -0.71900 2.06500 1.000 O36 O 6.61600 -0.17100 2.63000 1.000 C37 C 5.14900 1.72700 1.46400 1.000 H38 H -0.59800 1.25200 0.51400 1.000 H39 H -4.52500 -1.65100 2.42200 1.000 H40 H -5.04200 -4.04200 2.15800 1.000 H41 H -4.82500 -3.62900 -2.08400 1.000 H42 H -4.30700 -1.23600 -1.82800 1.000 H43 H -4.70600 3.92200 -0.02600 1.000 H44 H -5.41200 2.40900 0.59200 1.000 H45 H -2.15400 3.10600 -3.37500 1.000 H46 H -3.80000 2.94100 -2.55900 1.000 H47 H -2.62600 3.47000 1.24600 1.000 H48 H -3.33200 1.95800 1.86400 1.000 H49 H -4.50900 0.58000 1.17600 1.000 H50 H -6.56600 5.21900 1.02200 1.000 H51 H -7.27200 3.70700 1.64000 1.000 H52 H -6.90600 5.04100 2.76000 1.000 H53 H -5.19200 3.25500 2.91200 1.000 H54 H -4.48600 4.76800 2.29400 1.000 H55 H 1.80000 2.37200 -1.87700 1.000 H56 H 3.16000 -1.58700 0.74300 1.000 H57 H 4.07000 1.46200 -2.12700 1.000 H58 H 4.88600 -1.17600 -2.92500 1.000 H59 H 7.95800 -1.18000 0.93400 1.000 H60 H 8.69200 -2.08300 -1.23300 1.000 H61 H 7.16000 -2.08500 -3.15800 1.000 H62 H -1.44300 4.77600 -1.60300 1.000 H63 H -3.08900 4.61200 -0.78700 1.000 H64 H 4.37300 1.81500 0.70300 1.000 H65 H 4.81500 2.21100 2.38200 1.000 H66 H 6.06100 2.21000 1.11000 1.000