# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NX' 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 -4.33200 -0.07600 0.16800 1.000 C1 C -3.37900 0.03700 1.16900 1.000 C2 C -2.04500 0.17100 0.84300 1.000 C3 C -1.65200 0.19200 -0.49800 1.000 C4 C -2.61400 0.07800 -1.50600 1.000 C5 C -3.94800 -0.05600 -1.17100 1.000 C6 C -4.42200 -0.13900 -3.50000 1.000 C7 C -0.22800 0.33500 -0.85000 1.000 C8 C 2.70400 1.74200 -0.45900 1.000 Br9 Br -0.74800 0.32600 2.21100 1.000 O10 O -4.88600 -0.16800 -2.14900 1.000 O11 O -5.64500 -0.21300 0.49500 1.000 N12 N 0.66400 0.44200 0.08800 1.000 N13 N 2.01800 0.57800 -0.24600 1.000 C14 C 2.93600 -0.43300 -0.42800 1.000 N15 N 4.08100 0.13700 -0.72900 1.000 N16 N 3.94500 1.41500 -0.74800 1.000 S17 S 2.04700 3.37400 -0.37200 1.000 C18 C 3.52900 4.33200 -0.77600 1.000 C19 C 2.68200 -1.88400 -0.30800 1.000 C20 C 1.51700 -2.34200 0.30900 1.000 C21 C 1.28300 -3.69800 0.41200 1.000 C22 C 2.20000 -4.60200 -0.09300 1.000 C23 C 3.35700 -4.15400 -0.70600 1.000 C24 C 3.60300 -2.80100 -0.81700 1.000 H25 H -3.68100 0.02200 2.20600 1.000 H26 H -2.31500 0.09400 -2.54400 1.000 H27 H -3.91300 0.80600 -3.69000 1.000 H28 H -3.72800 -0.96400 -3.66400 1.000 H29 H -5.26900 -0.23700 -4.17900 1.000 H30 H 0.07400 0.35100 -1.88600 1.000 H31 H 3.28900 5.39500 -0.76500 1.000 H32 H 4.30600 4.12700 -0.03900 1.000 H33 H 3.88500 4.05000 -1.76700 1.000 H34 H 0.80000 -1.63800 0.70500 1.000 H35 H 0.38200 -4.05400 0.89000 1.000 H36 H 2.01200 -5.66200 -0.00900 1.000 H37 H 4.06900 -4.86500 -1.09900 1.000 H38 H 4.50400 -2.45300 -1.30000 1.000 H39 H -6.11800 0.62600 0.57900 1.000