# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BD' 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 8.17100 -0.83900 -0.82200 1.000 C1 C 6.48400 0.34500 0.40200 1.000 C2 C 0.98900 1.44000 0.12500 1.000 C3 C 1.93900 -1.18300 0.22000 1.000 C4 C -2.32100 -0.35500 0.00500 1.000 C5 C -1.73700 1.99500 -0.01300 1.000 C6 C -6.58400 -1.94700 -0.16500 1.000 O7 O 6.82300 -0.36400 -0.79100 1.000 C8 C 5.02600 0.80400 0.32600 1.000 O9 O 4.16800 -0.33900 0.30800 1.000 C10 C 2.83100 -0.10500 0.24100 1.000 C11 C 2.36700 1.19100 0.19400 1.000 C12 C 0.09300 0.34500 0.10400 1.000 C13 C 0.58000 -0.96100 0.15300 1.000 O14 O 2.41500 -2.45600 0.26700 1.000 C15 C 1.45100 -3.51000 0.24200 1.000 C16 C -1.34000 0.63400 0.03200 1.000 C17 C -3.64900 0.03100 -0.06500 1.000 N18 N -3.99800 1.31200 -0.10700 1.000 C19 C -3.11100 2.29200 -0.08300 1.000 C20 C -0.74700 2.99400 0.00700 1.000 N21 N 0.52300 2.70000 0.07300 1.000 N22 N -3.53300 3.60900 -0.12800 1.000 N23 N -4.64500 -0.94900 -0.09300 1.000 C24 C -5.99800 -0.73500 -0.16100 1.000 N25 N -5.62100 -2.87900 -0.10200 1.000 C26 C -4.45500 -2.29500 -0.05800 1.000 H27 H 8.85500 0.00600 -0.74400 1.000 H28 H 8.33600 -1.51800 0.01400 1.000 H29 H 8.34900 -1.36600 -1.75900 1.000 H30 H 6.61400 -0.31000 1.26400 1.000 H31 H 7.13300 1.21400 0.50500 1.000 H32 H -2.05200 -1.40000 0.03800 1.000 H33 H -7.64700 -2.13700 -0.20800 1.000 H34 H 4.79300 1.42000 1.19400 1.000 H35 H 4.87600 1.38500 -0.58400 1.000 H36 H 3.06500 2.01600 0.21100 1.000 H37 H -0.10500 -1.79600 0.13600 1.000 H38 H 1.96300 -4.47200 0.28500 1.000 H39 H 0.78600 -3.41500 1.10100 1.000 H40 H 0.86900 -3.44900 -0.67700 1.000 H41 H -1.04600 4.03100 -0.02700 1.000 H42 H -2.88200 4.32800 -0.11200 1.000 H43 H -4.48000 3.81300 -0.17700 1.000 H44 H -6.49700 0.22100 -0.20300 1.000 H45 H -3.50000 -2.79600 -0.00400 1.000