# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '97B' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 7.63600 -1.60300 1.62800 1.000 C1 C 6.85100 -0.84200 1.09700 1.000 N2 N 7.28500 0.32900 0.59000 1.000 C3 C 6.37700 1.21000 -0.16000 1.000 C4 C 7.04200 1.57400 -1.49200 1.000 N5 N 8.37600 2.13300 -1.23300 1.000 C6 C 8.97800 2.65300 -2.46800 1.000 C7 C 9.25400 1.14200 -0.59600 1.000 C8 C 8.67800 0.76300 0.77700 1.000 C9 C 5.42400 -1.20300 1.00100 1.000 C10 C 5.04800 -2.54200 0.85800 1.000 C11 C 3.71500 -2.87500 0.77000 1.000 C12 C 4.44400 -0.20800 1.06000 1.000 C13 C 3.11300 -0.54800 0.97100 1.000 C14 C 2.74300 -1.88100 0.82300 1.000 N15 N 1.39500 -2.22200 0.73300 1.000 C16 C 0.52300 -1.41400 0.02100 1.000 N17 N -0.77000 -1.69100 0.03900 1.000 N18 N 1.00600 -0.38200 -0.65500 1.000 C19 C 0.20200 0.41400 -1.34300 1.000 C20 C -1.16000 0.15500 -1.34900 1.000 C21 C -1.63900 -0.93300 -0.63700 1.000 C22 C -2.08200 1.06400 -2.11100 1.000 N23 N -2.99000 1.72600 -1.18100 1.000 C24 C -3.87200 1.08600 -0.50200 1.000 C25 C -4.10200 -0.36700 -0.55500 1.000 C26 C -3.07200 -1.29700 -0.60500 1.000 C27 C -3.38800 -2.66100 -0.63800 1.000 C28 C -4.70000 -3.07800 -0.61800 1.000 C29 C -5.43200 -0.81200 -0.54300 1.000 C30 C -5.72400 -2.14500 -0.56600 1.000 Cl31 Cl -7.37700 -2.67400 -0.54500 1.000 C32 C -4.72900 1.87400 0.41100 1.000 C33 C -5.93700 2.40900 -0.04500 1.000 F34 F -6.32700 2.20700 -1.32300 1.000 C35 C -6.73100 3.14400 0.81400 1.000 C36 C -6.33400 3.35100 2.12200 1.000 C37 C -5.14000 2.82600 2.58200 1.000 C38 C -4.33700 2.08400 1.73600 1.000 F39 F -3.17300 1.56700 2.18800 1.000 H40 H 5.43700 0.69100 -0.35000 1.000 H41 H 6.18800 2.11600 0.41500 1.000 H42 H 7.13500 0.68000 -2.10800 1.000 H43 H 6.43300 2.31400 -2.01200 1.000 H44 H 8.34400 3.43900 -2.87800 1.000 H45 H 9.96400 3.06100 -2.24700 1.000 H46 H 9.07200 1.84600 -3.19400 1.000 H47 H 9.31600 0.25400 -1.22500 1.000 H48 H 10.24900 1.56800 -0.46700 1.000 H49 H 8.70600 1.62700 1.44100 1.000 H50 H 9.26000 -0.05200 1.20800 1.000 H51 H 5.80200 -3.31300 0.81600 1.000 H52 H 3.42400 -3.90900 0.65900 1.000 H53 H 4.73100 0.82700 1.17500 1.000 H54 H 2.35600 0.22100 1.01700 1.000 H55 H 1.06800 -3.02400 1.16800 1.000 H56 H 0.60200 1.25400 -1.89100 1.000 H57 H -1.49600 1.81400 -2.64200 1.000 H58 H -2.65800 0.48000 -2.82800 1.000 H59 H -2.59500 -3.39300 -0.68100 1.000 H60 H -4.93200 -4.13200 -0.64400 1.000 H61 H -6.23700 -0.09300 -0.50200 1.000 H62 H -7.66500 3.55800 0.46300 1.000 H63 H -6.95900 3.92700 2.78900 1.000 H64 H -4.83700 2.99200 3.60500 1.000