# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '961' 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 0.34800 -1.34300 3.50600 1.000 C1 C 0.84100 -0.79000 4.66800 1.000 C2 C 0.60000 0.55600 4.95500 1.000 C3 C -0.13500 1.33800 4.06000 1.000 C4 C -0.62000 0.78100 2.89800 1.000 C5 C -0.37900 -0.55800 2.61400 1.000 C6 C 1.12100 1.15100 6.20000 1.000 C7 C -1.21800 0.23100 -2.25400 1.000 C8 C -1.30100 -0.92900 -1.51300 1.000 C9 C -0.36600 -1.93000 -1.70000 1.000 C10 C 0.64300 -1.76100 -2.62300 1.000 C11 C 0.72900 -0.59200 -3.37000 1.000 C12 C 1.86300 -0.47200 -4.35400 1.000 C13 C 1.57700 0.63400 -5.36800 1.000 C14 C 1.19700 1.90600 -4.60100 1.000 C15 C -0.17400 1.69200 -3.96400 1.000 C16 C -0.20200 0.40300 -3.18600 1.000 C17 C -0.47900 2.85700 -3.02000 1.000 C18 C -1.23800 1.64100 -5.06300 1.000 C19 C 2.03300 -1.80100 -5.09300 1.000 C20 C 3.15300 -0.14400 -3.60000 1.000 C21 C -2.40600 -1.10400 -0.50400 1.000 C22 C -1.95200 -0.58100 0.83300 1.000 N23 N -0.87300 -1.11900 1.43600 1.000 F24 F 0.57900 -2.64400 3.22700 1.000 O25 O -3.56100 -0.37800 -0.93200 1.000 O26 O -2.55700 0.32200 1.36900 1.000 O27 O 0.91100 2.32200 6.44800 1.000 O28 O 1.83000 0.39600 7.06200 1.000 H29 H 1.40800 -1.39600 5.35800 1.000 H30 H -0.32200 2.37900 4.27900 1.000 H31 H -1.18800 1.38500 2.20700 1.000 H32 H -1.94800 1.01300 -2.10800 1.000 H33 H -0.42700 -2.84200 -1.12400 1.000 H34 H 1.37400 -2.54400 -2.76700 1.000 H35 H 2.46700 0.82000 -5.96900 1.000 H36 H 0.75300 0.33500 -6.01500 1.000 H37 H 1.93600 2.10100 -3.82400 1.000 H38 H 1.15500 2.75100 -5.28800 1.000 H39 H -1.45800 2.70800 -2.56400 1.000 H40 H 0.28100 2.90300 -2.24100 1.000 H41 H -0.47900 3.79100 -3.58300 1.000 H42 H -2.21800 1.48900 -4.61200 1.000 H43 H -1.23400 2.58000 -5.61600 1.000 H44 H -1.01800 0.81800 -5.74300 1.000 H45 H 2.24700 -2.59100 -4.37300 1.000 H46 H 1.11600 -2.03700 -5.63100 1.000 H47 H 2.85900 -1.72000 -5.80000 1.000 H48 H 3.36500 -0.93600 -2.88200 1.000 H49 H 3.97800 -0.06500 -4.30900 1.000 H50 H 3.03600 0.80100 -3.07300 1.000 H51 H -2.65400 -2.16200 -0.41600 1.000 H52 H -0.43900 -1.89700 1.05000 1.000 H53 H -3.29900 0.54900 -0.99600 1.000 H54 H 2.17200 0.78600 7.87900 1.000