# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90N' 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 -6.65300 -0.19300 2.63000 1.000 C1 C -6.94200 0.63100 1.40200 1.000 C2 C -8.08400 1.40500 1.34200 1.000 C3 C -8.35100 2.16200 0.21600 1.000 C4 C -7.47500 2.14700 -0.85400 1.000 C5 C -6.33000 1.37500 -0.80100 1.000 Cl6 Cl -5.23100 1.35600 -2.14500 1.000 C7 C -6.05700 0.61700 0.33200 1.000 N8 N -4.90000 -0.16600 0.38900 1.000 C9 C -3.72900 0.32800 -0.06000 1.000 O10 O -3.66500 1.47700 -0.45700 1.000 C11 C -2.53600 -0.51700 -0.07200 1.000 S12 S -2.44500 -2.19400 0.46100 1.000 C13 C -1.29100 -0.14800 -0.50300 1.000 N14 N -0.39200 -1.09400 -0.40800 1.000 C15 C -0.78100 -2.24100 0.07100 1.000 N16 N 0.03500 -3.34000 0.23900 1.000 C17 C 1.41000 -3.23100 0.01200 1.000 C18 C 2.04300 -2.00600 0.16100 1.000 C19 C 2.14400 -4.35200 -0.35800 1.000 C20 C 3.50400 -4.24900 -0.58300 1.000 C21 C 4.14200 -3.03400 -0.44200 1.000 C22 C 3.41500 -1.90300 -0.06600 1.000 C23 C 4.09700 -0.60100 0.09100 1.000 O24 O 3.46100 0.38200 0.41900 1.000 N25 N 5.42300 -0.50400 -0.12900 1.000 C26 C 6.06200 0.71600 0.01900 1.000 N27 N 5.36900 1.79000 0.37700 1.000 N28 N 7.37200 0.81200 -0.19300 1.000 C29 C 7.98300 1.97500 -0.05300 1.000 C30 C 9.46700 2.07800 -0.29400 1.000 N31 N 7.29500 3.04700 0.29900 1.000 C32 C 5.98600 2.95800 0.51700 1.000 N33 N 5.26900 4.07900 0.88500 1.000 H34 H -7.09700 -1.18200 2.51700 1.000 H35 H -5.57500 -0.29200 2.75600 1.000 H36 H -7.07700 0.29800 3.50600 1.000 H37 H -8.77000 1.41900 2.17600 1.000 H38 H -9.24500 2.76600 0.17200 1.000 H39 H -7.68700 2.73900 -1.73200 1.000 H40 H -4.93900 -1.06500 0.75200 1.000 H41 H -1.07100 0.83600 -0.88900 1.000 H42 H -0.34600 -4.18900 0.51500 1.000 H43 H 1.47400 -1.13500 0.45200 1.000 H44 H 1.65100 -5.30600 -0.47000 1.000 H45 H 4.07000 -5.12400 -0.87000 1.000 H46 H 5.20500 -2.95900 -0.61700 1.000 H47 H 5.93000 -1.28800 -0.39100 1.000 H48 H 9.64800 2.31600 -1.34200 1.000 H49 H 9.88300 2.86600 0.33400 1.000 H50 H 9.94200 1.12900 -0.04900 1.000 H51 H 5.71900 4.93200 0.98400 1.000 H52 H 4.31400 4.01300 1.04400 1.000