# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C83' 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 3.62800 -0.19400 -0.93200 1.000 C1 C 2.42300 -0.93300 -0.40900 1.000 C2 C 1.20100 -0.29500 -0.33600 1.000 C3 C 0.09100 -0.97600 0.14700 1.000 C4 C -2.28300 -1.02100 -0.01000 1.000 C5 C -3.58500 -0.31900 -0.03100 1.000 C6 C -4.79400 1.61900 0.15500 1.000 N7 N -3.63600 0.99600 0.17400 1.000 N8 N -5.91900 -0.40500 -0.29100 1.000 O9 O -2.23600 -2.22000 -0.20300 1.000 C10 C -5.97000 0.90400 -0.08100 1.000 N11 N 3.23400 1.15300 -1.28500 1.000 C12 C -8.32400 0.75200 -0.34200 1.000 C13 C -4.75800 -1.03300 -0.27200 1.000 C14 C 0.21300 -2.29700 0.55500 1.000 C15 C 1.43700 -2.93200 0.48000 1.000 C16 C 2.54100 -2.25300 -0.00700 1.000 C17 C 3.40700 2.23400 -0.62200 1.000 C18 C 4.25300 0.55700 1.35900 1.000 F19 F 5.88700 0.35800 -0.38500 1.000 C20 C 4.72400 -0.22800 0.12700 1.000 C21 C 5.21400 0.31900 2.52500 1.000 S22 S 4.23900 2.31700 0.92500 1.000 N23 N 2.91200 3.40200 -1.15300 1.000 C24 C 4.13500 -0.90500 -2.18800 1.000 F25 F 3.73800 -2.87600 -0.08000 1.000 N26 N -1.14900 -0.33100 0.22200 1.000 O27 O -7.16200 1.54600 -0.09500 1.000 F28 F -8.63300 0.00900 0.80200 1.000 H29 H 1.10800 0.73400 -0.65300 1.000 H30 H -4.83600 2.68500 0.32600 1.000 H31 H -9.16300 1.40300 -0.59000 1.000 H32 H -8.13100 0.07500 -1.17400 1.000 H33 H -4.71700 -2.09800 -0.44300 1.000 H34 H -0.64900 -2.82900 0.93000 1.000 H35 H 1.53300 -3.96000 0.79700 1.000 H36 H 3.24800 0.23800 1.63700 1.000 H37 H 4.93000 -1.26000 0.40900 1.000 H38 H 4.88900 0.90000 3.38800 1.000 H39 H 5.21800 -0.74100 2.78200 1.000 H40 H 6.21900 0.62700 2.23600 1.000 H41 H 2.44800 3.39000 -2.00500 1.000 H42 H 3.02700 4.23900 -0.67600 1.000 H43 H 3.35000 -0.91300 -2.94400 1.000 H44 H 5.00800 -0.37900 -2.57600 1.000 H45 H 4.41000 -1.93000 -1.93900 1.000 H46 H -1.19200 0.61300 0.44200 1.000