# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BW' 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 -8.65700 2.31300 1.21700 1.000 C1 C -9.14200 1.03300 1.90100 1.000 C2 C -7.64400 1.33900 1.82300 1.000 C3 C -6.81500 0.51600 0.87200 1.000 O4 O -7.33900 -0.35000 0.20400 1.000 N5 N -5.49100 0.74200 0.76200 1.000 C6 C -4.68500 -0.05800 -0.16300 1.000 C7 C -4.75600 0.55500 -1.56300 1.000 C8 C -4.31900 2.02000 -1.50200 1.000 C9 C -3.82900 -0.21500 -2.50500 1.000 C10 C -6.19300 0.47300 -2.08300 1.000 C11 C -3.25300 -0.07600 0.30500 1.000 O12 O -2.79900 0.87500 0.90600 1.000 N13 N -2.47500 -1.14800 0.05600 1.000 C14 C -2.92000 -2.40200 -0.58000 1.000 C15 C -1.91300 -3.47300 -0.09000 1.000 O16 O -2.25300 -3.93400 1.21900 1.000 C17 C -0.58700 -2.66800 -0.06900 1.000 C18 C -1.04300 -1.25900 0.36600 1.000 C19 C -0.26500 -0.21200 -0.39000 1.000 O20 O -0.84500 0.56700 -1.11500 1.000 N21 N 1.07500 -0.14300 -0.25900 1.000 C22 C 1.83100 0.87400 -0.99400 1.000 C23 C 3.29700 0.73800 -0.67500 1.000 C24 C 4.09700 -0.08500 -1.44900 1.000 C25 C 5.44000 -0.21400 -1.16300 1.000 C26 C 3.84000 1.44000 0.38600 1.000 C27 C 5.18200 1.32000 0.68300 1.000 C28 C 5.99200 0.48800 -0.09000 1.000 C29 C 7.43200 0.35400 0.22200 1.000 S30 S 8.75800 0.43900 -0.93600 1.000 C31 C 9.88600 0.18900 0.32400 1.000 N32 N 9.27700 0.06400 1.45500 1.000 C33 C 7.96500 0.15100 1.44600 1.000 C34 C 7.12800 0.02400 2.69200 1.000 H35 H -8.72300 2.35900 0.13000 1.000 H36 H -8.82200 3.25600 1.73800 1.000 H37 H -9.62600 1.13500 2.87300 1.000 H38 H -9.52800 0.23700 1.26500 1.000 H39 H -7.14400 1.64100 2.74300 1.000 H40 H -5.07200 1.43500 1.29600 1.000 H41 H -5.07000 -1.07700 -0.19200 1.000 H42 H -3.29500 2.07800 -1.13100 1.000 H43 H -4.37000 2.45600 -2.49900 1.000 H44 H -4.98000 2.56800 -0.83100 1.000 H45 H -4.18000 -1.24300 -2.60100 1.000 H46 H -3.82900 0.26200 -3.48500 1.000 H47 H -2.81700 -0.21400 -2.10000 1.000 H48 H -6.85400 1.02200 -1.41200 1.000 H49 H -6.24400 0.91000 -3.08000 1.000 H50 H -6.50500 -0.57000 -2.12600 1.000 H51 H -3.92900 -2.65500 -0.25600 1.000 H52 H -2.88200 -2.31200 -1.66500 1.000 H53 H -1.85500 -4.30500 -0.79200 1.000 H54 H -3.12000 -4.35900 1.27400 1.000 H55 H 0.11300 -3.08700 0.65400 1.000 H56 H -0.14400 -2.63900 -1.06500 1.000 H57 H -0.89000 -1.13500 1.43800 1.000 H58 H 1.53800 -0.76700 0.32200 1.000 H59 H 1.67700 0.73800 -2.06400 1.000 H60 H 1.48600 1.86600 -0.70000 1.000 H61 H 3.66800 -0.62700 -2.27900 1.000 H62 H 6.06300 -0.85600 -1.76800 1.000 H63 H 3.21100 2.08300 0.98400 1.000 H64 H 5.60400 1.86800 1.51200 1.000 H65 H 10.95700 0.14300 0.19200 1.000 H66 H 6.91300 1.01700 3.08800 1.000 H67 H 6.19200 -0.48100 2.45200 1.000 H68 H 7.67200 -0.55500 3.43800 1.000