# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NG' 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 -0.81200 -0.00100 0.93100 1.000 C1 C -0.38800 -1.43600 0.73700 1.000 C2 C 0.85000 -1.56000 1.35600 1.000 C3 C -4.90900 1.94800 -0.66400 1.000 C4 C -0.97500 0.69300 -0.41800 1.000 C5 C 2.49000 -0.13400 2.64100 1.000 C6 C 1.49200 -2.79600 1.33700 1.000 C7 C 5.54100 1.06900 -0.10400 1.000 C8 C -1.34100 2.16400 -0.19400 1.000 C9 C -5.85400 1.18600 -0.11300 1.000 C10 C -6.54500 0.38000 -1.00200 1.000 Br11 Br -1.13000 -5.22000 -0.76400 1.000 C12 C -0.32900 -3.73800 0.09500 1.000 C13 C 0.90300 -3.87400 0.71000 1.000 N14 N 1.23500 -0.34000 1.91500 1.000 C15 C 3.56600 0.29000 1.67400 1.000 C16 C 3.76400 1.63400 1.41100 1.000 C17 C 4.74700 2.02800 0.52600 1.000 C18 C 5.33500 -0.28400 0.16600 1.000 C19 C 4.34900 -0.66600 1.05200 1.000 C20 C 6.59300 1.48600 -1.05800 1.000 N21 N 7.43300 0.66800 -1.73900 1.000 N22 N 8.23900 1.52500 -2.50900 1.000 N23 N 7.85300 2.72800 -2.25500 1.000 N24 N 6.88500 2.72000 -1.41100 1.000 C25 C 0.31900 0.62400 1.71100 1.000 O26 O 0.38900 1.77600 2.08300 1.000 N27 N -2.52200 2.22800 0.67800 1.000 C28 C -2.48500 1.53200 1.97200 1.000 C29 C -2.11000 0.06600 1.73100 1.000 S30 S -3.87000 3.07000 0.21200 1.000 O31 O -3.43300 4.03500 -0.73500 1.000 O32 O -4.56300 3.41000 1.40500 1.000 C33 C -6.16000 0.48700 -2.27400 1.000 S34 S -4.85100 1.65600 -2.39800 1.000 C35 C -0.97500 -2.51300 0.11100 1.000 H36 H -0.03800 0.63300 -0.97300 1.000 H37 H -1.76600 0.20400 -0.98600 1.000 H38 H 2.35200 0.64200 3.39400 1.000 H39 H 2.78600 -1.06300 3.12800 1.000 H40 H 2.45500 -2.91100 1.81400 1.000 H41 H -0.50700 2.68000 0.28200 1.000 H42 H -1.56800 2.63400 -1.15100 1.000 H43 H -6.06500 1.19600 0.94600 1.000 H44 H -7.33600 -0.28600 -0.68800 1.000 H45 H 1.40600 -4.83000 0.69800 1.000 H46 H 3.14900 2.37500 1.89800 1.000 H47 H 4.90200 3.07800 0.32200 1.000 H48 H 5.94600 -1.03100 -0.31900 1.000 H49 H 4.18900 -1.71300 1.26100 1.000 H50 H 7.47000 -0.30100 -1.70200 1.000 H51 H -1.74000 1.99900 2.61600 1.000 H52 H -3.46600 1.58600 2.44400 1.000 H53 H -2.90700 -0.42600 1.17300 1.000 H54 H -1.97300 -0.43600 2.68800 1.000 H55 H -6.58400 -0.06200 -3.10200 1.000 H56 H -1.93700 -2.40200 -0.36700 1.000