# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C81' 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 2.75200 -1.13800 0.68600 1.000 C1 C 5.37100 2.11000 0.62900 1.000 C2 C 7.31700 0.25200 -1.40100 1.000 C3 C 0.47900 -2.07200 0.91400 1.000 C4 C -0.89600 -1.64900 0.46500 1.000 C5 C -2.43700 0.03900 0.17900 1.000 C6 C -3.37300 -0.85300 -0.34000 1.000 C7 C -3.03200 -2.20500 -0.44600 1.000 C8 C -1.77000 -2.59800 -0.03400 1.000 C9 C -4.71000 -0.37700 -0.77100 1.000 C10 C -5.49000 0.42800 0.06400 1.000 C11 C -6.72800 0.84900 -0.37600 1.000 C12 C -6.47100 -0.25200 -2.38800 1.000 C13 C -5.22200 -0.71700 -2.02600 1.000 C14 C 0.41200 -2.57200 2.35900 1.000 C15 C 8.80500 0.22200 -1.75700 1.000 C16 C 7.58400 2.27200 0.09400 1.000 C17 C -4.01100 -3.20700 -1.00100 1.000 C18 C -7.57800 1.71800 0.51500 1.000 C19 C 4.87100 -0.26000 0.46200 1.000 C20 C 5.38400 -1.55600 0.38500 1.000 C21 C 4.50500 -2.61900 0.46800 1.000 C22 C 7.14200 0.79800 0.01800 1.000 F23 F 6.63800 1.07700 -2.30500 1.000 F24 F -7.30400 1.42100 1.85400 1.000 F25 F -7.28800 3.06400 0.26700 1.000 F26 F -8.93000 1.47500 0.25000 1.000 N27 N 3.21100 -2.37900 0.61600 1.000 N28 N -1.24800 -0.38200 0.55800 1.000 N29 N -7.17700 0.50100 -1.56700 1.000 N30 N 3.56200 -0.09300 0.61100 1.000 N31 N 5.71800 0.83900 0.38400 1.000 N32 N 1.39200 -0.92900 0.83500 1.000 O33 O 6.37300 2.98300 0.48300 1.000 O34 O 4.24600 2.43900 0.95000 1.000 H35 H 6.91000 -0.75700 -1.45500 1.000 H36 H 0.84200 -2.87200 0.26900 1.000 H37 H -2.68800 1.08600 0.26700 1.000 H38 H -1.47200 -3.63300 -0.10200 1.000 H39 H -5.12800 0.71600 1.04000 1.000 H40 H -6.87700 -0.51300 -3.35400 1.000 H41 H -4.65000 -1.33300 -2.70400 1.000 H42 H -0.26700 -3.42300 2.41700 1.000 H43 H 1.40700 -2.87800 2.68400 1.000 H44 H 0.04900 -1.77200 3.00400 1.000 H45 H 9.18900 1.24200 -1.79700 1.000 H46 H 9.34800 -0.34100 -0.99800 1.000 H47 H 8.93700 -0.25400 -2.72800 1.000 H48 H 8.36300 2.40400 0.84500 1.000 H49 H 7.93200 2.61400 -0.88100 1.000 H50 H -3.88200 -3.28200 -2.08000 1.000 H51 H -3.83100 -4.18100 -0.54500 1.000 H52 H -5.02800 -2.88400 -0.77800 1.000 H53 H 6.44400 -1.72400 0.26400 1.000 H54 H 4.86900 -3.63400 0.41300 1.000 H55 H 7.70400 0.19600 0.73200 1.000 H56 H 1.04300 -0.02500 0.88700 1.000