# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9GJ' 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 -4.27500 -1.00100 -0.75700 1.000 N1 N -2.50200 0.40600 -0.06400 1.000 C2 C -6.11300 1.00300 -0.35100 1.000 C3 C -5.55100 -1.23300 -1.00700 1.000 C4 C 1.92800 -1.15200 0.28000 1.000 C5 C -4.76600 1.21400 -0.09800 1.000 C6 C 4.48000 -0.54900 -0.60600 1.000 C7 C 3.97600 -1.83500 -0.76000 1.000 C8 C -1.68500 -0.59400 0.32000 1.000 C9 C -8.14200 -1.81100 -1.55200 1.000 C10 C 0.57200 -1.70300 2.28100 1.000 C11 C 2.42600 0.12800 0.42900 1.000 C12 C 3.70100 0.43200 -0.01300 1.000 C13 C 2.70200 -2.13400 -0.31200 1.000 C14 C -6.50700 -0.24900 -0.81600 1.000 C15 C -3.86100 0.17200 -0.31800 1.000 C16 C -2.99400 2.74400 0.35400 1.000 C17 C -1.99600 1.77600 -0.23000 1.000 C18 C 1.22100 -0.66600 4.34200 1.000 C19 C 0.54000 -1.48100 0.76800 1.000 C20 C 6.18400 1.09000 -0.85400 1.000 N21 N -4.30700 2.44600 0.37600 1.000 N22 N -0.36300 -0.37000 0.45600 1.000 O23 O -2.61000 3.80100 0.80800 1.000 O24 O -2.14000 -1.69900 0.54500 1.000 O25 O -7.81700 -0.50200 -1.07900 1.000 O26 O 5.73200 -0.25200 -1.04500 1.000 O27 O 1.14500 -0.56000 2.91900 1.000 F28 F 4.73200 -2.79400 -1.33700 1.000 F29 F 6.18300 1.39200 0.51200 1.000 F30 F 7.48200 1.22100 -1.36000 1.000 F31 F 5.33100 1.97100 -1.52700 1.000 H32 H -6.83600 1.79000 -0.19300 1.000 H33 H -5.85400 -2.20600 -1.36600 1.000 H34 H -9.21700 -1.87900 -1.72200 1.000 H35 H -7.61400 -2.00100 -2.48600 1.000 H36 H -7.84400 -2.55000 -0.80900 1.000 H37 H -0.44400 -1.85300 2.64800 1.000 H38 H 1.17300 -2.58400 2.50700 1.000 H39 H 1.81900 0.89300 0.89100 1.000 H40 H 4.08900 1.43200 0.10500 1.000 H41 H 2.31200 -3.13500 -0.42400 1.000 H42 H -1.04300 1.87800 0.28900 1.000 H43 H -1.86000 1.98900 -1.29000 1.000 H44 H 1.66700 0.24100 4.75100 1.000 H45 H 0.21900 -0.79400 4.75100 1.000 H46 H 1.83500 -1.52500 4.61000 1.000 H47 H 0.18600 -2.38600 0.27500 1.000 H48 H -4.94100 3.09300 0.72300 1.000 H49 H -0.00900 0.52600 0.34800 1.000