# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95Q' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -7.13600 -2.44700 1.15900 1.000 C1 C -5.80100 -1.69900 0.34100 1.000 C2 C -5.56300 -0.34500 0.49800 1.000 C3 C -4.49900 0.25000 -0.15400 1.000 C4 C -3.67400 -0.50700 -0.96400 1.000 C5 C -3.91200 -1.86000 -1.12200 1.000 C6 C -4.97100 -2.45700 -0.46500 1.000 C7 C -2.51500 0.14300 -1.67500 1.000 C8 C -1.27100 0.08100 -0.78600 1.000 N9 N -0.14200 0.71400 -1.47900 1.000 C10 C -0.37300 2.15400 -1.65700 1.000 C11 C -0.52800 2.80800 -0.30800 1.000 C12 C -1.78600 2.96200 0.24400 1.000 C13 C -1.92900 3.56200 1.48200 1.000 C14 C -0.81300 4.00800 2.16600 1.000 C15 C 0.44400 3.85300 1.61400 1.000 C16 C 0.58700 3.24900 0.37900 1.000 C17 C 1.11900 0.46700 -0.76600 1.000 C18 C 1.33400 -1.04100 -0.61400 1.000 C19 C 2.67700 -1.29300 0.07500 1.000 N20 N 3.75800 -0.70400 -0.72600 1.000 C21 C 3.59800 0.75100 -0.84500 1.000 C22 C 2.28300 1.06400 -1.56200 1.000 C23 C 4.99600 -1.02500 -0.20000 1.000 N24 N 6.19200 -0.64200 -0.69500 1.000 N25 N 7.16700 -1.19300 0.15100 1.000 C26 C 6.53200 -1.85900 1.08500 1.000 N27 N 5.21500 -1.75200 0.87500 1.000 N28 N 7.13200 -2.55800 2.13300 1.000 H29 H -6.20800 0.24700 1.13100 1.000 H30 H -4.31300 1.30700 -0.03100 1.000 H31 H -3.26700 -2.45000 -1.75600 1.000 H32 H -5.15600 -3.51400 -0.58900 1.000 H33 H -2.32000 -0.38500 -2.60900 1.000 H34 H -2.75700 1.18400 -1.88900 1.000 H35 H -1.46600 0.60800 0.14800 1.000 H36 H -1.02900 -0.96000 -0.57200 1.000 H37 H 0.47500 2.59600 -2.18000 1.000 H38 H -1.28000 2.30600 -2.24100 1.000 H39 H -2.65700 2.61400 -0.29000 1.000 H40 H -2.91100 3.68300 1.91300 1.000 H41 H -0.92500 4.47700 3.13300 1.000 H42 H 1.31600 4.20100 2.14900 1.000 H43 H 1.57000 3.12400 -0.05100 1.000 H44 H 1.07600 0.93100 0.22000 1.000 H45 H 0.53100 -1.46500 -0.01200 1.000 H46 H 1.33600 -1.50900 -1.59900 1.000 H47 H 2.66800 -0.83600 1.06500 1.000 H48 H 2.84000 -2.36600 0.17200 1.000 H49 H 3.58500 1.19800 0.14900 1.000 H50 H 4.43000 1.16200 -1.41700 1.000 H51 H 2.30000 0.62900 -2.56200 1.000 H52 H 2.15700 2.14400 -1.63700 1.000 H53 H 6.34600 -0.09500 -1.48100 1.000 H54 H 6.58200 -3.01900 2.78600 1.000 H55 H 8.09900 -2.58300 2.20900 1.000