# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5TB' 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 -5.70600 -0.39900 -0.64600 1.000 C1 C -6.29300 0.17400 0.66000 1.000 C2 C -7.78000 -0.25900 0.62900 1.000 O3 O -1.70700 -1.35900 0.05800 1.000 C4 C -1.95900 -0.17300 0.11000 1.000 C5 C -3.36700 0.30900 -0.12600 1.000 C6 C -4.27600 -0.88900 -0.40700 1.000 C7 C -7.70900 -1.68100 0.02000 1.000 C8 C -6.60600 -1.57900 -1.05300 1.000 N9 N -0.97900 0.71200 0.37800 1.000 C10 C 0.40000 0.26100 0.61100 1.000 N11 N 1.30100 1.00800 -0.27900 1.000 C12 C 1.15600 2.45600 -0.08200 1.000 C13 C -0.26400 2.88600 -0.45800 1.000 C14 C -1.26300 2.15400 0.43900 1.000 C15 C 2.62700 0.60900 -0.09900 1.000 C16 C 2.93700 -0.38100 0.82500 1.000 C17 C 4.24900 -0.77400 1.00000 1.000 C18 C 5.25400 -0.18300 0.25700 1.000 C19 C 4.95000 0.80300 -0.66400 1.000 C20 C 3.63900 1.19600 -0.84800 1.000 C21 C 6.68600 -0.61300 0.45200 1.000 N22 N 6.99300 -1.71900 -0.46600 1.000 C23 C 8.38300 -2.16600 -0.30400 1.000 H24 H -5.71300 0.36300 -1.42600 1.000 H25 H -5.78900 -0.25400 1.52600 1.000 H26 H -6.21100 1.26100 0.67000 1.000 H27 H -8.19400 -0.29000 1.63700 1.000 H28 H -8.36300 0.40600 -0.00800 1.000 H29 H -3.72300 0.83600 0.75900 1.000 H30 H -3.38100 0.98500 -0.98100 1.000 H31 H -4.26200 -1.56400 0.44800 1.000 H32 H -3.92000 -1.41600 -1.29200 1.000 H33 H -7.43400 -2.40900 0.78300 1.000 H34 H -8.66200 -1.94800 -0.43700 1.000 H35 H -7.05100 -1.38900 -2.03000 1.000 H36 H -6.02400 -2.50000 -1.08000 1.000 H37 H 0.67500 0.44700 1.64900 1.000 H38 H 0.47600 -0.80600 0.39800 1.000 H39 H 1.34500 2.70100 0.96300 1.000 H40 H 1.87300 2.98200 -0.71300 1.000 H41 H -0.37100 3.96200 -0.32000 1.000 H42 H -0.45400 2.63100 -1.50000 1.000 H43 H -2.27800 2.34400 0.09000 1.000 H44 H -1.15700 2.50100 1.46700 1.000 H45 H 2.15200 -0.84200 1.40600 1.000 H46 H 4.49100 -1.54300 1.71900 1.000 H47 H 5.73700 1.26200 -1.24300 1.000 H48 H 3.40100 1.96300 -1.57100 1.000 H49 H 7.34900 0.22600 0.24400 1.000 H50 H 6.82900 -0.94400 1.48000 1.000 H51 H 6.80600 -1.45800 -1.42200 1.000 H52 H 8.58400 -2.98500 -0.99500 1.000 H53 H 9.05900 -1.33700 -0.51600 1.000 H54 H 8.53800 -2.50700 0.72000 1.000