# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FJK' 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 10.80000 2.01100 -1.21300 1.000 C1 C 4.36700 4.47700 1.12700 1.000 C2 C 10.16900 0.93200 -1.83400 1.000 C3 C 3.88800 3.02600 1.31800 1.000 C4 C -8.62400 -0.33100 -1.88000 1.000 C5 C -3.07900 -4.79300 -1.40600 1.000 C6 C -7.54400 -0.82600 -1.17300 1.000 C7 C -9.04300 0.97100 -1.69400 1.000 C8 C -1.99700 -5.33100 -0.73800 1.000 C9 C 10.10900 2.92200 -0.47800 1.000 C10 C 5.89200 4.54000 1.26800 1.000 C11 C 8.83800 0.70000 -1.68500 1.000 C12 C 4.54300 2.12200 0.26800 1.000 C13 C -2.33400 -3.72100 0.98500 1.000 C14 C 3.11800 -3.36500 0.08000 1.000 C15 C -5.00400 4.04800 1.27500 1.000 C16 C -5.83200 5.19900 0.70500 1.000 C17 C 5.65300 -0.86200 -0.13600 1.000 C18 C -5.34800 2.73700 0.56000 1.000 C19 C -7.32500 4.93600 0.95500 1.000 C20 C 4.88500 -1.90700 -0.94700 1.000 C21 C -0.43800 -5.35100 1.23900 1.000 C22 C 1.93500 -5.13200 1.50100 1.000 C23 C -5.13600 -1.61500 0.01500 1.000 C24 C -8.58400 3.20200 -0.38300 1.000 C25 C -1.61300 -4.78900 0.48100 1.000 C26 C 3.12500 -4.35200 1.00600 1.000 C27 C -3.41600 -3.23400 0.26000 1.000 C28 C -6.87600 -0.01500 -0.26200 1.000 C29 C -8.37800 1.79400 -0.78300 1.000 C30 C 6.76300 1.27300 -0.52400 1.000 C31 C -7.29100 1.28800 -0.06500 1.000 C32 C 8.70600 2.79600 -0.36300 1.000 C33 C 6.52000 3.64000 0.20600 1.000 C34 C 8.07800 1.55900 -0.86600 1.000 C35 C 6.05900 2.19700 0.43300 1.000 C36 C -6.81800 2.40100 0.82900 1.000 N37 N -3.74800 -3.77500 -0.90100 1.000 N38 N 4.39700 -4.50000 1.39400 1.000 N39 N 5.12900 -3.65900 0.75100 1.000 N40 N 7.97300 3.73300 0.20600 1.000 N41 N 6.13500 0.19300 -1.03100 1.000 N42 N -4.15800 -2.16600 0.76200 1.000 N43 N -5.78500 -0.51900 0.45600 1.000 N44 N -7.62100 3.58300 0.46400 1.000 N45 N 4.40300 -2.96200 -0.05100 1.000 O46 O -5.43300 -2.10700 -1.05700 1.000 O47 O -9.48800 3.91300 -0.77600 1.000 O48 O 0.75500 -4.67200 0.83900 1.000 H49 H 11.86900 2.12400 -1.31500 1.000 H50 H 4.08000 4.84000 0.14000 1.000 H51 H 3.90700 5.10500 1.89000 1.000 H52 H 10.75300 0.26400 -2.45000 1.000 H53 H 4.15500 2.67600 2.31400 1.000 H54 H 2.80500 2.99000 1.20200 1.000 H55 H -9.13900 -0.96400 -2.58700 1.000 H56 H -3.37800 -5.20900 -2.35700 1.000 H57 H -7.21900 -1.84400 -1.32800 1.000 H58 H -9.88400 1.35300 -2.25300 1.000 H59 H -1.45500 -6.16500 -1.15900 1.000 H60 H 10.62700 3.73200 0.01300 1.000 H61 H 6.23000 5.56600 1.12400 1.000 H62 H 6.18200 4.19200 2.25900 1.000 H63 H 8.37000 -0.13500 -2.18400 1.000 H64 H 4.21600 1.09300 0.41700 1.000 H65 H 4.26000 2.45700 -0.73000 1.000 H66 H -2.06600 -3.27800 1.93300 1.000 H67 H 2.26000 -2.97900 -0.45000 1.000 H68 H -3.94400 4.26400 1.14000 1.000 H69 H -5.21400 3.94400 2.33900 1.000 H70 H -5.54200 6.13000 1.19200 1.000 H71 H -5.65300 5.28000 -0.36700 1.000 H72 H 4.99400 -0.42700 0.61500 1.000 H73 H 6.50200 -1.33600 0.35700 1.000 H74 H -5.19100 2.85400 -0.51200 1.000 H75 H -4.71500 1.93600 0.94000 1.000 H76 H -7.53800 4.99700 2.02200 1.000 H77 H -7.92500 5.66700 0.41400 1.000 H78 H 4.03600 -1.43300 -1.43900 1.000 H79 H 5.54500 -2.34100 -1.69800 1.000 H80 H -0.59400 -5.21000 2.30800 1.000 H81 H -0.34100 -6.41400 1.02200 1.000 H82 H 2.08100 -6.19100 1.29000 1.000 H83 H 1.82700 -4.98700 2.57600 1.000 H84 H -6.96200 2.13500 1.87700 1.000 H85 H 6.00200 0.11500 -1.98800 1.000 H86 H -3.97100 -1.81900 1.64800 1.000 H87 H -5.49600 -0.07900 1.27100 1.000 H88 H 6.15800 3.96300 -0.77000 1.000 H89 H 6.31500 1.90800 1.45200 1.000