# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9B5' 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 -8.22900 2.93200 0.89400 1.000 C1 C -7.63600 1.59900 0.51600 1.000 O2 O -8.34800 0.62100 0.43300 1.000 N3 N -6.31500 1.49500 0.27000 1.000 C4 C -5.73900 0.19900 -0.09700 1.000 C5 C -5.88700 -0.01700 -1.60400 1.000 C6 C -4.27800 0.17600 0.27300 1.000 O7 O -3.76900 1.14600 0.79200 1.000 N8 N -3.53800 -0.92300 0.02600 1.000 C9 C -4.02700 -2.16700 -0.59600 1.000 C10 C -3.05300 -3.26600 -0.10500 1.000 O11 O -3.39900 -3.70700 1.20900 1.000 C12 C -1.70100 -2.50400 -0.09900 1.000 C13 C -2.10800 -1.07800 0.32900 1.000 C14 C -1.30100 -0.06300 -0.44000 1.000 O15 O -1.86000 0.73000 -1.16800 1.000 N16 N 0.04100 -0.03700 -0.31800 1.000 C17 C 0.82500 0.95000 -1.06500 1.000 C18 C 2.28800 0.76800 -0.75500 1.000 C19 C 3.05500 -0.08600 -1.52700 1.000 C20 C 4.39500 -0.25700 -1.24900 1.000 C21 C 2.86000 1.46000 0.29800 1.000 C22 C 4.20000 1.29800 0.58700 1.000 C23 C 4.97700 0.43400 -0.18500 1.000 C24 C 6.41300 0.25500 0.12000 1.000 S25 S 7.73600 0.31500 -1.04300 1.000 C26 C 8.86200 0.01800 0.20900 1.000 N27 N 8.25400 -0.10200 1.34200 1.000 C28 C 6.94500 0.02300 1.33900 1.000 C29 C 6.11000 -0.09300 2.58800 1.000 H30 H -9.30200 2.82100 1.05200 1.000 H31 H -7.76200 3.29100 1.81100 1.000 H32 H -8.05300 3.64900 0.09100 1.000 H33 H -5.74600 2.27700 0.33700 1.000 H34 H -6.26100 -0.59600 0.43700 1.000 H35 H -5.36500 0.77700 -2.13800 1.000 H36 H -5.45800 -0.98100 -1.87800 1.000 H37 H -6.94400 -0.00000 -1.87200 1.000 H38 H -5.04200 -2.38400 -0.26400 1.000 H39 H -3.99300 -2.08600 -1.68300 1.000 H40 H -3.02600 -4.10400 -0.80200 1.000 H41 H -4.27900 -4.10200 1.27300 1.000 H42 H -1.01000 -2.94100 0.62300 1.000 H43 H -1.26400 -2.49800 -1.09700 1.000 H44 H -1.94400 -0.95200 1.39900 1.000 H45 H 0.48800 -0.67100 0.26400 1.000 H46 H 0.66000 0.81100 -2.13300 1.000 H47 H 0.51400 1.95400 -0.77700 1.000 H48 H 2.60400 -0.61900 -2.35100 1.000 H49 H 4.99300 -0.92400 -1.85200 1.000 H50 H 2.25700 2.12800 0.89500 1.000 H51 H 4.64500 1.83900 1.40900 1.000 H52 H 9.93100 -0.05900 0.07200 1.000 H53 H 5.92700 0.90000 2.99700 1.000 H54 H 5.15800 -0.56700 2.34500 1.000 H55 H 6.63900 -0.69800 3.32400 1.000