# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.59900 -1.98000 -0.81800 1.000 O1 O -4.42400 -0.29500 -0.30700 1.000 O2 O 5.89800 -2.74600 0.32400 1.000 O3 O -11.87600 0.60400 3.19800 1.000 O4 O -12.80100 -0.66600 1.44000 1.000 O5 O 12.23200 3.31900 -0.71300 1.000 O6 O 10.16300 4.67700 -1.06300 1.000 O7 O -8.19700 4.82500 1.14500 1.000 O8 O -10.17600 4.25100 -0.26900 1.000 O9 O 12.36700 -2.12100 -0.40100 1.000 O10 O 12.55600 -2.28800 1.94300 1.000 O11 O -6.82400 -2.35400 0.16300 1.000 O12 O -8.34600 -2.59000 -1.80500 1.000 O13 O 5.45800 0.46900 -0.43800 1.000 O14 O 5.68800 2.81100 -0.58600 1.000 O15 O -12.74500 1.83200 1.38400 1.000 O16 O 11.00300 3.22800 -2.72200 1.000 O17 O -8.29600 5.37100 -1.14600 1.000 O18 O 12.70700 -0.11200 1.04700 1.000 O19 O -8.92800 -3.40300 0.33000 1.000 O20 O 5.77100 1.90100 1.58700 1.000 C21 C -4.36400 -4.39200 -2.68500 1.000 C22 C 2.03100 -0.17400 1.26600 1.000 C23 C -3.09600 -4.69000 -2.22100 1.000 C24 C 1.20000 -1.19300 0.83900 1.000 C25 C -4.99300 -3.23000 -2.28800 1.000 C26 C 3.40100 -0.33900 1.24200 1.000 C27 C -6.26300 1.53500 -1.36800 1.000 C28 C 8.23500 -2.02000 1.55100 1.000 C29 C -6.85000 2.76100 -1.06900 1.000 C30 C 9.61600 -2.16300 1.44500 1.000 C31 C -3.06900 -2.65100 -0.95000 1.000 C32 C 3.11300 -2.57000 0.36600 1.000 C33 C -10.03100 -0.71000 0.58000 1.000 C34 C 8.56600 2.33900 -0.42900 1.000 C35 C -9.98300 1.68600 0.54900 1.000 C36 C 10.55900 1.04800 -0.09900 1.000 N37 N -1.16300 -4.12700 -0.88700 1.000 N38 N 0.89300 -3.42600 -0.03200 1.000 N39 N -6.29900 -0.87000 -1.35000 1.000 N40 N 6.22600 -0.74000 1.22100 1.000 C41 C -0.30000 -3.13600 -0.58700 1.000 C42 C -5.02300 -1.10700 -0.98600 1.000 C43 C 5.41900 -1.71700 0.76100 1.000 C44 C -2.44600 -3.82100 -1.35400 1.000 C45 C 1.73900 -2.39300 0.38800 1.000 C46 C -4.35100 -2.35300 -1.41300 1.000 C47 C 3.95200 -1.53800 0.78700 1.000 C48 C -10.60900 0.52300 0.87500 1.000 C49 C 9.94700 2.18600 -0.53000 1.000 C50 C -6.89500 0.35400 -1.04600 1.000 C51 C 7.61100 -0.87100 1.11500 1.000 C52 C -8.05800 2.82900 -0.44600 1.000 C53 C 10.38600 -1.17600 0.91100 1.000 C54 C -8.83100 -0.78600 -0.06000 1.000 C55 C 7.79000 1.36100 0.11400 1.000 C56 C -8.73400 1.64700 -0.09500 1.000 C57 C 9.78800 0.01200 0.45500 1.000 C58 C -8.15200 0.39300 -0.40500 1.000 C59 C 8.38500 0.17100 0.56300 1.000 S60 S -12.16300 0.57600 1.70400 1.000 S61 S 10.91600 3.48300 -1.22400 1.000 S62 S -8.77500 4.39600 -0.08000 1.000 S63 S 12.13200 -1.38600 0.79200 1.000 S64 S -8.11800 -2.35600 -0.42200 1.000 S65 S 6.04500 1.57700 0.23100 1.000 H66 H -12.66900 0.63400 3.75000 1.000 H67 H 13.50500 -2.46900 1.97100 1.000 H68 H 4.74400 3.02100 -0.58900 1.000 H69 H 11.51900 3.88900 -3.20400 1.000 H70 H -8.63400 6.27000 -1.03700 1.000 H71 H -8.61800 -4.30900 0.19800 1.000 H72 H -4.86200 -5.07000 -3.36300 1.000 H73 H 1.60600 0.75600 1.61400 1.000 H74 H -2.60900 -5.60200 -2.53500 1.000 H75 H 0.12900 -1.05700 0.85500 1.000 H76 H -5.98200 -2.99900 -2.65600 1.000 H77 H 4.04700 0.46000 1.57700 1.000 H78 H -5.30300 1.50900 -1.86200 1.000 H79 H 7.64700 -2.82000 1.97400 1.000 H80 H -6.33700 3.67400 -1.33400 1.000 H81 H 10.08300 -3.07300 1.79300 1.000 H82 H -2.56800 -1.97600 -0.27200 1.000 H83 H 3.53400 -3.50200 0.01700 1.000 H84 H -10.54900 -1.61900 0.84900 1.000 H85 H 8.10400 3.24700 -0.78700 1.000 H86 H -10.44300 2.63500 0.78400 1.000 H87 H 11.63000 0.94300 -0.18300 1.000 H88 H -0.89400 -5.05300 -0.78000 1.000 H89 H 1.16600 -4.35000 0.07700 1.000 H90 H -6.80200 -1.55100 -1.82400 1.000 H91 H 5.84300 0.05400 1.62500 1.000