# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0YB' 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 3.07100 -3.73100 1.18800 1.000 C1 C 2.06500 1.90000 -2.52800 1.000 C2 C 1.78300 2.41000 -1.27900 1.000 C3 C 3.27400 -2.92400 0.08600 1.000 C4 C 1.78600 -4.06800 1.57300 1.000 C5 C 1.89900 0.20900 -0.32700 1.000 C6 C 0.89900 -2.78900 -0.24800 1.000 C7 C 2.26800 0.52700 -2.69000 1.000 C8 C 1.70000 1.56800 -0.18200 1.000 C9 C 2.18700 -2.45000 -0.63600 1.000 C10 C 2.18900 -0.32100 -1.57600 1.000 C11 C 0.70100 -3.59700 0.85600 1.000 C12 C -3.91700 1.96300 -1.24700 1.000 C13 C -4.84900 1.11600 -1.73500 1.000 C14 C -5.16000 -0.05800 -1.00800 1.000 C15 C -3.59800 0.55600 0.61700 1.000 C16 C 2.56500 -0.02600 -4.02300 1.000 C17 C -1.63200 4.01600 2.40700 1.000 C18 C -2.72100 3.10500 1.83400 1.000 C19 C -0.31700 3.23900 2.49400 1.000 C20 C -0.94300 1.85500 0.60600 1.000 C21 C -2.27700 2.59100 0.46200 1.000 C22 C -5.54800 1.41700 -3.03500 1.000 C23 C 4.80100 3.51400 2.31600 1.000 C24 C 4.29400 1.83700 0.53500 1.000 C25 C 3.58100 1.41100 2.89100 1.000 C26 C 2.44700 3.18400 1.54400 1.000 C27 C 1.39200 2.13900 1.17800 1.000 C28 C 3.78100 2.48700 1.82100 1.000 N29 N -4.52200 -0.30600 0.15400 1.000 N30 N -3.28800 1.67200 -0.06700 1.000 N31 N 0.06500 2.76900 1.15600 1.000 O32 O -5.99700 -0.83700 -1.42700 1.000 O33 O -3.03400 0.32200 1.66900 1.000 O34 O 2.74100 -1.22000 -4.16000 1.000 O35 O 2.63900 0.79300 -5.09100 1.000 O36 O 2.38500 -1.65500 -1.72000 1.000 Br37 Br -1.05400 -4.06000 1.38500 1.000 H38 H 3.91700 -4.10300 1.74700 1.000 H39 H 2.12400 2.56000 -3.38100 1.000 H40 H 1.62500 3.47100 -1.15500 1.000 H41 H 4.27800 -2.66100 -0.21400 1.000 H42 H 1.63000 -4.70000 2.43500 1.000 H43 H 1.83700 -0.44000 0.53300 1.000 H44 H 0.05200 -2.42100 -0.80800 1.000 H45 H -3.66700 2.86400 -1.78800 1.000 H46 H -1.50200 4.88000 1.75500 1.000 H47 H -1.92300 4.35200 3.40200 1.000 H48 H -2.87900 2.26000 2.50600 1.000 H49 H -3.64900 3.66700 1.73000 1.000 H50 H 0.46400 3.88900 2.88700 1.000 H51 H -0.44400 2.38300 3.15600 1.000 H52 H -1.06800 1.00500 1.27700 1.000 H53 H -0.61700 1.50000 -0.37200 1.000 H54 H -2.15800 3.43200 -0.22000 1.000 H55 H -4.98500 0.98000 -3.86000 1.000 H56 H -6.55200 0.99300 -3.01500 1.000 H57 H -5.61300 2.49700 -3.17200 1.000 H58 H 4.94300 4.28100 1.55400 1.000 H59 H 4.43500 3.97700 3.23300 1.000 H60 H 5.75100 3.01800 2.51300 1.000 H61 H 4.18500 2.53700 -0.29400 1.000 H62 H 5.34500 1.57600 0.65400 1.000 H63 H 3.71700 0.93600 0.32700 1.000 H64 H 4.54800 0.99100 3.16900 1.000 H65 H 3.11200 1.85500 3.76900 1.000 H66 H 2.94100 0.62100 2.49700 1.000 H67 H 2.56800 3.88300 0.71700 1.000 H68 H 2.12900 3.72600 2.43400 1.000 H69 H 1.40100 1.33800 1.91800 1.000 H70 H -4.73300 -1.10600 0.66000 1.000 H71 H 2.83600 0.38400 -5.94500 1.000