# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0QB' 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 -3.86900 4.47800 1.58100 1.000 C1 C -3.57600 2.56200 3.21800 1.000 C2 C -4.05100 2.15600 0.86300 1.000 O3 O -4.17900 2.54700 -0.27800 1.000 N4 N -3.83800 3.04000 1.85900 1.000 N5 N -4.27200 -0.06800 -0.08300 1.000 C6 C -3.18400 -0.59300 -0.68100 1.000 O7 O -3.31000 -1.29200 -1.66400 1.000 C8 C -4.13000 0.68200 1.16800 1.000 C9 C -5.59600 -0.24700 -0.68300 1.000 C10 C -5.44800 -0.89800 -2.05900 1.000 C11 C -6.43300 -1.13300 0.20400 1.000 C12 C -7.78700 -0.88800 0.34500 1.000 C13 C -5.85000 -2.19300 0.87200 1.000 C14 C -8.55500 -1.70000 1.15800 1.000 C15 C -6.61800 -3.00400 1.68500 1.000 C16 C -7.97000 -2.75700 1.83000 1.000 C17 C 0.60400 -0.80300 -0.40400 1.000 O18 O 0.71100 -0.31200 0.70000 1.000 C19 C -0.75500 -0.94000 -1.04000 1.000 C20 C -1.81100 -0.31100 -0.12800 1.000 C21 C -0.75900 -0.22600 -2.39300 1.000 C22 C -0.31300 1.20200 -2.20900 1.000 C23 C 0.73700 1.71700 -2.84800 1.000 S24 S 0.91000 3.39900 -2.35200 1.000 C25 C -0.45200 3.24700 -1.32900 1.000 N26 N -0.93500 2.04600 -1.40500 1.000 N27 N -0.96700 4.26200 -0.53900 1.000 C28 C 3.68500 0.15300 -0.68000 1.000 C29 C 3.01000 -1.19100 -0.40200 1.000 C30 C 3.88500 -2.32300 -0.94500 1.000 C31 C 3.24400 -3.67000 -0.60700 1.000 C32 C 4.05100 -4.79600 -1.25600 1.000 C33 C 3.41000 -6.14400 -0.91800 1.000 C34 C 3.39600 -6.33500 0.60000 1.000 C35 C 2.58800 -5.20900 1.24900 1.000 C36 C 3.23000 -3.86200 0.91100 1.000 N37 N 1.70200 -1.22600 -1.06100 1.000 O38 O 2.82200 1.21400 -0.26500 1.000 N39 N 6.11800 2.07500 1.02100 1.000 C40 C 5.67600 1.56600 -0.14200 1.000 O41 O 5.80000 2.09800 -1.22400 1.000 C42 C 5.00100 0.23300 0.09600 1.000 C43 C 4.73300 0.21000 1.61900 1.000 C44 C 5.81700 1.17800 2.14400 1.000 C45 C 6.81600 3.35600 1.15100 1.000 C46 C 5.28000 1.97900 3.33200 1.000 C47 C 7.06900 0.40000 2.55100 1.000 H48 H -2.85500 4.83500 1.40000 1.000 H49 H -4.48200 4.66400 0.69900 1.000 H50 H -4.29300 5.00400 2.43600 1.000 H51 H -4.51900 2.46000 3.75600 1.000 H52 H -3.07800 1.59400 3.17400 1.000 H53 H -2.93700 3.27600 3.73800 1.000 H54 H -3.22000 0.36800 1.67900 1.000 H55 H -4.99100 0.48900 1.80700 1.000 H56 H -6.08100 0.72300 -0.79000 1.000 H57 H -4.73800 -0.32700 -2.65700 1.000 H58 H -5.08500 -1.91900 -1.94100 1.000 H59 H -6.41600 -0.91300 -2.56000 1.000 H60 H -8.24400 -0.06200 -0.18000 1.000 H61 H -4.79300 -2.38700 0.75800 1.000 H62 H -9.61200 -1.50800 1.26900 1.000 H63 H -6.16200 -3.83300 2.20700 1.000 H64 H -8.57000 -3.39100 2.46600 1.000 H65 H -0.98300 -1.99500 -1.18600 1.000 H66 H -1.65300 0.76700 -0.07900 1.000 H67 H -1.72700 -0.73600 0.87200 1.000 H68 H -0.07700 -0.73400 -3.07400 1.000 H69 H -1.76600 -0.24100 -2.80900 1.000 H70 H 1.37200 1.19400 -3.54800 1.000 H71 H -0.50800 5.11500 -0.48300 1.000 H72 H -1.78800 4.12000 -0.04100 1.000 H73 H 3.88600 0.24500 -1.74700 1.000 H74 H 2.87800 -1.31700 0.67200 1.000 H75 H 3.97600 -2.22500 -2.02700 1.000 H76 H 4.87400 -2.26700 -0.49100 1.000 H77 H 2.22200 -3.69100 -0.98500 1.000 H78 H 4.06100 -4.66000 -2.33700 1.000 H79 H 5.07300 -4.77500 -0.87700 1.000 H80 H 2.38800 -6.16500 -1.29600 1.000 H81 H 3.98500 -6.94600 -1.38000 1.000 H82 H 2.93900 -7.29500 0.84100 1.000 H83 H 4.41800 -6.31400 0.97900 1.000 H84 H 1.56600 -5.23100 0.87100 1.000 H85 H 2.57800 -5.34600 2.33000 1.000 H86 H 4.25200 -3.84100 1.28900 1.000 H87 H 2.65400 -3.06000 1.37300 1.000 H88 H 1.62600 -1.55400 -1.97100 1.000 H89 H 1.96700 1.22500 -0.71700 1.000 H90 H 5.66100 -0.58500 -0.19000 1.000 H91 H 3.73400 0.58300 1.84500 1.000 H92 H 4.87500 -0.79100 2.02500 1.000 H93 H 6.91400 3.81700 0.16900 1.000 H94 H 6.24700 4.01500 1.80700 1.000 H95 H 7.80600 3.18900 1.57500 1.000 H96 H 4.38400 2.52000 3.03000 1.000 H97 H 5.03700 1.29900 4.14800 1.000 H98 H 6.03800 2.68900 3.66400 1.000 H99 H 7.84100 1.09800 2.87700 1.000 H100 H 6.82600 -0.28000 3.36800 1.000 H101 H 7.43500 -0.17200 1.69900 1.000