# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JK4' 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 -5.49100 0.56800 -0.90900 1.000 C1 C -6.51900 1.40200 -0.89500 1.000 N2 N -7.67500 1.08300 -1.59900 1.000 C3 C -6.45400 2.59400 -0.18100 1.000 C4 C -5.29900 2.89800 0.51600 1.000 C5 C -4.24300 1.99700 0.47500 1.000 C6 C -4.37700 0.83200 -0.25400 1.000 C7 C -5.18700 4.18000 1.30100 1.000 C8 C -3.23500 -0.15000 -0.30200 1.000 O9 O -1.42600 -1.96400 -0.53500 1.000 N10 N -3.61400 -2.84600 2.14800 1.000 C11 C -0.58800 -2.85700 -1.27200 1.000 C12 C 0.63900 -2.09900 -1.78300 1.000 N13 N 1.45100 -1.65600 -0.64200 1.000 C14 C 2.64100 -0.92300 -1.09600 1.000 C15 C 3.45900 -0.47800 0.11800 1.000 F16 F 2.67900 0.35400 0.92800 1.000 F17 F 3.85600 -1.60300 0.85000 1.000 C18 C -2.34800 -3.10600 1.41500 1.000 C19 C 4.68000 0.27400 -0.34700 1.000 C20 C 5.57700 0.77600 0.57800 1.000 F21 F 5.36000 0.59400 1.89900 1.000 C22 C 6.70000 1.46800 0.14800 1.000 F23 F 7.57800 1.95900 1.05000 1.000 C24 C 6.92000 1.65300 -1.20500 1.000 C25 C 6.02200 1.15000 -2.12700 1.000 C26 C 4.90500 0.45600 -1.69900 1.000 C27 C -2.60700 -2.57500 -0.01100 1.000 C28 C -3.72700 -1.52700 0.14900 1.000 C29 C -4.05000 -1.51300 1.65900 1.000 H30 H -7.72500 0.25200 -2.09800 1.000 H31 H -8.43100 1.69100 -1.59100 1.000 H32 H -7.29400 3.27300 -0.17100 1.000 H33 H -3.32700 2.20500 1.00700 1.000 H34 H -5.53500 4.01300 2.32000 1.000 H35 H -4.14700 4.50500 1.32000 1.000 H36 H -5.79900 4.94900 0.82900 1.000 H37 H -2.85500 -0.21600 -1.32100 1.000 H38 H -2.43800 0.18600 0.36200 1.000 H39 H -4.30400 -3.55200 1.93900 1.000 H40 H -0.26700 -3.67200 -0.62400 1.000 H41 H -1.14300 -3.26200 -2.11800 1.000 H42 H 1.23300 -2.75600 -2.41900 1.000 H43 H 0.31600 -1.23100 -2.35800 1.000 H44 H 0.90400 -1.09800 -0.00400 1.000 H45 H 3.24800 -1.57100 -1.72600 1.000 H46 H 2.33200 -0.04700 -1.66600 1.000 H47 H -1.52300 -2.56600 1.87800 1.000 H48 H -2.13600 -4.17500 1.39000 1.000 H49 H 7.79400 2.19200 -1.54100 1.000 H50 H 6.19400 1.29500 -3.18400 1.000 H51 H 4.20700 0.06000 -2.42100 1.000 H52 H -2.93500 -3.38500 -0.66300 1.000 H53 H -4.60600 -1.82100 -0.42500 1.000 H54 H -5.12100 -1.38200 1.81700 1.000 H55 H -3.49200 -0.72200 2.16000 1.000