# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9B8' 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 -7.98400 2.50800 0.96000 1.000 O1 O -9.09100 1.69900 0.54200 1.000 C2 C -8.88500 0.88900 1.70600 1.000 C3 C -7.40000 1.27500 1.66100 1.000 C4 C -6.55100 0.39700 0.77900 1.000 O5 O -7.05500 -0.52700 0.17700 1.000 N6 N -5.23000 0.63800 0.65900 1.000 C7 C -4.40400 -0.21600 -0.19800 1.000 C8 C -4.47800 0.28700 -1.64100 1.000 C9 C -3.53100 -0.53600 -2.51700 1.000 C10 C -5.91000 0.14000 -2.16000 1.000 C11 C -4.06600 1.76000 -1.68900 1.000 C12 C -2.97500 -0.17200 0.27700 1.000 O13 O -2.54200 0.83000 0.80600 1.000 N14 N -2.17700 -1.24700 0.11400 1.000 C15 C -2.59600 -2.55300 -0.42600 1.000 C16 C -1.57400 -3.56500 0.14900 1.000 O17 O -1.91300 -3.93200 1.48800 1.000 C18 C -0.26200 -2.73700 0.11400 1.000 C19 C -0.74500 -1.30800 0.43900 1.000 C20 C 0.01900 -0.30800 -0.39100 1.000 O21 O -0.57000 0.40400 -1.17700 1.000 N22 N 1.35600 -0.20500 -0.26000 1.000 C23 C 2.09900 0.76700 -1.06600 1.000 C24 C 3.56600 0.68100 -0.73100 1.000 C25 C 4.38400 -0.18300 -1.43600 1.000 C26 C 5.72800 -0.26600 -1.13500 1.000 C27 C 4.08900 1.47200 0.27600 1.000 C28 C 5.43100 1.39900 0.58700 1.000 C29 C 6.26100 0.52500 -0.11600 1.000 C30 C 7.70100 0.44100 0.21300 1.000 S31 S 9.03200 0.46700 -0.94100 1.000 C32 C 10.15700 0.32900 0.34000 1.000 N33 N 9.54200 0.27400 1.47400 1.000 C34 C 8.22900 0.33600 1.45100 1.000 C35 C 7.38600 0.28400 2.69900 1.000 H36 H -7.37200 2.86500 0.13200 1.000 H37 H -8.26600 3.30400 1.64900 1.000 H38 H -9.40200 1.26200 2.59000 1.000 H39 H -9.06100 -0.17300 1.53200 1.000 H40 H -6.95400 1.47500 2.63600 1.000 H41 H -4.82600 1.37700 1.14100 1.000 H42 H -4.77200 -1.24100 -0.15200 1.000 H43 H -3.86400 -1.57400 -2.53600 1.000 H44 H -3.53300 -0.13500 -3.53100 1.000 H45 H -2.52200 -0.48600 -2.10900 1.000 H46 H -6.58400 0.72700 -1.53600 1.000 H47 H -5.96200 0.49900 -3.18800 1.000 H48 H -6.20300 -0.90900 -2.12500 1.000 H49 H -3.04600 1.86400 -1.32000 1.000 H50 H -4.11900 2.11800 -2.71700 1.000 H51 H -4.74100 2.34600 -1.06500 1.000 H52 H -3.60300 -2.79800 -0.08900 1.000 H53 H -2.55300 -2.54500 -1.51500 1.000 H54 H -1.49700 -4.44700 -0.48800 1.000 H55 H -2.77300 -4.36600 1.57100 1.000 H56 H 0.44100 -3.08800 0.87000 1.000 H57 H 0.18600 -2.77700 -0.87800 1.000 H58 H -0.60100 -1.09900 1.49900 1.000 H59 H 1.82700 -0.77400 0.36900 1.000 H60 H 1.95400 0.54700 -2.12400 1.000 H61 H 1.73500 1.77100 -0.85100 1.000 H62 H 3.97000 -0.79400 -2.22400 1.000 H63 H 6.36500 -0.94200 -1.68500 1.000 H64 H 3.44600 2.14800 0.82000 1.000 H65 H 5.83900 2.01700 1.37400 1.000 H66 H 11.22900 0.29200 0.21700 1.000 H67 H 7.15200 1.29800 3.02200 1.000 H68 H 6.46100 -0.25300 2.49000 1.000 H69 H 7.93500 -0.23100 3.48700 1.000