# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '92Q' 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 7.91300 -1.87800 -0.76700 1.000 C1 C 8.66200 -2.57800 0.38700 1.000 N2 N 7.77400 -2.41000 1.56600 1.000 C3 C 6.40500 -2.60100 1.02200 1.000 C4 C 6.42800 -1.89300 -0.34900 1.000 N5 N 5.92100 -0.52400 -0.22400 1.000 C6 C 4.60400 -0.27800 -0.36900 1.000 O7 O 3.83700 -1.19100 -0.60400 1.000 C8 C 4.09200 1.10300 -0.24200 1.000 C9 C 2.72900 1.36100 -0.39200 1.000 C10 C 4.96900 2.15300 0.03400 1.000 C11 C 4.48900 3.44100 0.15200 1.000 C12 C 3.13900 3.69800 -0.00100 1.000 C13 C 2.25600 2.65800 -0.27100 1.000 N14 N 0.89200 2.92300 -0.42600 1.000 C15 C -0.03600 1.93900 -0.15600 1.000 S16 S -1.71300 2.07200 -0.45700 1.000 N17 N 0.24400 0.77600 0.36000 1.000 C18 C -0.75300 -0.04900 0.55400 1.000 C19 C -1.96800 0.44500 0.16900 1.000 C20 C -3.25100 -0.25000 0.26300 1.000 O21 O -3.29900 -1.37900 0.71700 1.000 N22 N -4.38000 0.35800 -0.15200 1.000 C23 C -5.62000 -0.25900 0.04500 1.000 C24 C -5.82100 -1.56900 -0.37600 1.000 Cl25 Cl -4.53300 -2.44100 -1.14600 1.000 C26 C -7.04700 -2.17500 -0.17900 1.000 C27 C -8.07300 -1.48000 0.43500 1.000 C28 C -7.87600 -0.17700 0.85400 1.000 C29 C -6.65100 0.43300 0.66500 1.000 C30 C -6.43600 1.85100 1.12800 1.000 H31 H 8.26500 -0.85200 -0.87900 1.000 H32 H 8.05000 -2.42700 -1.69800 1.000 H33 H 8.80100 -3.63600 0.16400 1.000 H34 H 9.62500 -2.09800 0.56200 1.000 H35 H 7.87800 -1.49000 1.96900 1.000 H36 H 6.19000 -3.66300 0.89800 1.000 H37 H 5.66700 -2.13800 1.67700 1.000 H38 H 5.83700 -2.45200 -1.07400 1.000 H39 H 6.53300 0.20500 -0.03600 1.000 H40 H 2.04500 0.55200 -0.60200 1.000 H41 H 6.02500 1.95700 0.15400 1.000 H42 H 5.17000 4.25200 0.36600 1.000 H43 H 2.76900 4.70800 0.09400 1.000 H44 H 0.59800 3.79800 -0.72300 1.000 H45 H -0.62600 -1.03600 0.97500 1.000 H46 H -4.33200 1.22400 -0.58700 1.000 H47 H -7.20400 -3.19200 -0.50600 1.000 H48 H -9.03000 -1.95600 0.58700 1.000 H49 H -8.67900 0.36300 1.33300 1.000 H50 H -6.70100 2.54000 0.32600 1.000 H51 H -7.06200 2.04800 1.99800 1.000 H52 H -5.38800 1.99100 1.39600 1.000