# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BU' 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 6.76000 2.80900 1.38200 1.000 C1 C 7.19700 2.36700 -0.01600 1.000 C2 C 8.72300 2.41200 -0.11200 1.000 C3 C 6.71800 0.96100 -0.27100 1.000 O4 O 7.51600 0.08400 -0.50500 1.000 O5 O 5.40600 0.68300 -0.23800 1.000 C6 C 5.01700 -0.69300 -0.49300 1.000 C7 C 3.51700 -0.81400 -0.41500 1.000 C8 C 2.97300 -1.80600 0.24500 1.000 C9 C 3.84200 -2.89700 0.81500 1.000 C10 C 1.47900 -1.85500 0.43500 1.000 C11 C 0.85400 -2.72200 -0.66000 1.000 C12 C -0.64000 -2.77200 -0.47000 1.000 C13 C -1.24700 -3.77900 0.47300 1.000 C14 C -1.41100 -1.93900 -1.12400 1.000 C15 C -2.90900 -2.04300 -0.99800 1.000 C16 C -3.46500 -0.72800 -0.51600 1.000 C17 C -3.84100 0.24200 -1.42800 1.000 O18 O -3.71100 0.01300 -2.75900 1.000 C19 C -4.35900 1.46600 -0.96800 1.000 C20 C -4.76100 2.50000 -1.92400 1.000 O21 O -4.64800 2.30300 -3.11600 1.000 C22 C -4.49000 1.69000 0.40900 1.000 C23 C -5.04500 2.99900 0.91000 1.000 C24 C -4.11500 0.72400 1.29800 1.000 Cl25 Cl -4.27900 1.00800 3.00200 1.000 C26 C -3.60600 -0.49100 0.84400 1.000 O27 O -3.23700 -1.44400 1.73700 1.000 H28 H 5.67300 2.77800 1.45000 1.000 H29 H 7.19000 2.13900 2.12600 1.000 H30 H 7.10700 3.82600 1.56600 1.000 H31 H 6.76700 3.03800 -0.76000 1.000 H32 H 9.15300 1.74100 0.63200 1.000 H33 H 9.03500 2.09700 -1.10800 1.000 H34 H 9.07000 3.42900 0.07200 1.000 H35 H 5.35400 -0.98800 -1.48700 1.000 H36 H 5.47300 -1.34300 0.25300 1.000 H37 H 2.89000 -0.08200 -0.90400 1.000 H38 H 4.22000 -2.58900 1.79000 1.000 H39 H 3.25400 -3.80900 0.92500 1.000 H40 H 4.67900 -3.08400 0.14300 1.000 H41 H 1.25100 -2.28300 1.41200 1.000 H42 H 1.07100 -0.84600 0.37600 1.000 H43 H 1.08200 -2.29500 -1.63600 1.000 H44 H 1.26200 -3.73200 -0.60100 1.000 H45 H -0.45200 -4.33300 0.97300 1.000 H46 H -1.85200 -3.26100 1.21700 1.000 H47 H -1.87400 -4.47100 -0.08900 1.000 H48 H -0.97400 -1.17900 -1.75400 1.000 H49 H -3.34000 -2.28500 -1.97000 1.000 H50 H -3.16100 -2.82800 -0.28500 1.000 H51 H -4.49000 -0.39000 -3.16700 1.000 H52 H -5.15900 3.43900 -1.56800 1.000 H53 H -6.12800 2.92200 1.00500 1.000 H54 H -4.61000 3.23000 1.88200 1.000 H55 H -4.79700 3.79200 0.20400 1.000 H56 H -3.94700 -2.05500 1.97700 1.000