# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90B' 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 6.37600 3.15900 -1.18900 1.000 C1 C 6.77800 4.63500 -1.24500 1.000 N2 N 7.02500 5.12800 0.11500 1.000 C3 C 5.81300 5.04000 0.94000 1.000 C4 C 5.38100 3.57700 1.06100 1.000 C5 C 5.11300 3.01200 -0.33600 1.000 N6 N 4.75600 1.59500 -0.23100 1.000 C7 C 3.47900 1.23700 0.01100 1.000 O8 O 2.62400 2.09100 0.14200 1.000 C9 C 3.11900 -0.19300 0.11700 1.000 C10 C 1.79800 -0.56500 0.36200 1.000 C11 C 4.10000 -1.17500 -0.03200 1.000 C12 C 3.76100 -2.51000 0.06800 1.000 Br13 Br 5.09200 -3.83800 -0.13400 1.000 C14 C 2.45100 -2.87900 0.31600 1.000 C15 C 1.46700 -1.90800 0.46100 1.000 N16 N 0.14400 -2.28600 0.70600 1.000 C17 C -0.89200 -1.45800 0.32500 1.000 S18 S -2.53800 -1.71800 0.70700 1.000 N19 N -0.75200 -0.36700 -0.37100 1.000 C20 C -1.83700 0.31000 -0.65100 1.000 C21 C -2.98300 -0.24700 -0.15400 1.000 C22 C -4.33600 0.28600 -0.30700 1.000 O23 O -4.51800 1.31700 -0.92900 1.000 N24 N -5.38200 -0.36500 0.24000 1.000 C25 C -6.68700 0.07900 -0.00300 1.000 C26 C -7.02100 1.41100 0.21500 1.000 Cl27 Cl -5.82200 2.52600 0.79100 1.000 C28 C -8.31100 1.84500 -0.02600 1.000 C29 C -9.26700 0.95800 -0.48500 1.000 C30 C -8.93600 -0.36700 -0.70400 1.000 C31 C -7.64800 -0.80700 -0.46900 1.000 C32 C -7.28800 -2.25000 -0.71400 1.000 H33 H 6.17700 2.79700 -2.19800 1.000 H34 H 7.18400 2.57800 -0.74600 1.000 H35 H 7.68500 4.74100 -1.84000 1.000 H36 H 5.97400 5.21300 -1.70100 1.000 H37 H 7.38300 6.07100 0.09900 1.000 H38 H 6.01800 5.44200 1.93200 1.000 H39 H 5.01400 5.61700 0.47400 1.000 H40 H 6.17400 3.00300 1.54000 1.000 H41 H 4.47300 3.51400 1.66100 1.000 H42 H 4.29300 3.56100 -0.80000 1.000 H43 H 5.43900 0.91400 -0.33500 1.000 H44 H 1.03400 0.19000 0.47400 1.000 H45 H 5.12400 -0.89100 -0.22600 1.000 H46 H 2.19200 -3.92400 0.39300 1.000 H47 H -0.04700 -3.13100 1.14400 1.000 H48 H -1.82800 1.22600 -1.22100 1.000 H49 H -5.23100 -1.14000 0.80200 1.000 H50 H -8.57200 2.88000 0.14400 1.000 H51 H -10.27400 1.30000 -0.67300 1.000 H52 H -9.68500 -1.05800 -1.06200 1.000 H53 H -7.45900 -2.82600 0.19600 1.000 H54 H -7.90600 -2.64800 -1.51800 1.000 H55 H -6.23700 -2.32000 -0.99500 1.000