# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'PU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P 0.50700 2.28500 4.27000 1.000 O1 O 0.21400 3.39400 5.20500 1.000 O2 O 1.49400 1.23000 4.98100 1.000 O3 O 1.21100 2.87000 2.94600 1.000 N4 N -0.92700 1.51300 3.84800 1.000 C5 C -0.56800 0.42900 2.92400 1.000 C6 C -1.26200 0.64400 1.60400 1.000 O7 O -2.33500 1.20700 1.56700 1.000 C8 C -1.00400 -0.91100 3.51700 1.000 C9 C -0.31000 -1.12500 4.83800 1.000 C10 C -0.89800 -0.67900 6.00700 1.000 C11 C 0.91300 -1.76700 4.87800 1.000 C12 C -0.26400 -0.87500 7.21900 1.000 C13 C 1.55300 -1.96000 6.08700 1.000 C14 C 0.96300 -1.51900 7.26200 1.000 O15 O 1.58800 -1.71200 8.45300 1.000 C16 C 2.81300 -2.39200 8.17000 1.000 O17 O -4.46900 -1.69900 -1.23700 1.000 C18 C -3.68800 -0.57700 -0.82100 1.000 C19 C -2.22200 -0.81300 -1.18600 1.000 O20 O -2.07500 -0.94800 -2.61900 1.000 C21 C -1.36400 0.41800 -0.82000 1.000 N22 N -0.68900 0.20900 0.46300 1.000 C23 C -0.33100 0.51400 -1.96400 1.000 O24 O 0.99600 0.37700 -1.45400 1.000 C25 C -0.68400 -0.67100 -2.88900 1.000 N26 N -0.50000 -0.29500 -4.29300 1.000 C27 C -1.44100 0.25700 -5.11000 1.000 N28 N -0.93800 0.46300 -6.29300 1.000 C29 C 0.35400 0.05700 -6.30900 1.000 C30 C 1.37000 0.03500 -7.28000 1.000 N31 N 1.13700 0.50600 -8.56000 1.000 C32 C 2.39200 0.33900 -9.30600 1.000 C33 C 0.15800 -0.40200 -9.17200 1.000 N34 N 2.56000 -0.44700 -6.93900 1.000 C35 C 2.79200 -0.89900 -5.72000 1.000 C36 C 0.65200 -0.42800 -5.02500 1.000 N37 N 1.87100 -0.89800 -4.77900 1.000 H38 H 2.30200 1.71100 5.20700 1.000 H39 H 1.38500 2.11700 2.36500 1.000 H40 H -1.46900 2.17900 3.31700 1.000 H41 H 0.51000 0.42500 2.77100 1.000 H42 H -0.73700 -1.71500 2.83200 1.000 H43 H -2.08300 -0.90700 3.67000 1.000 H44 H -1.85400 -0.17800 5.97300 1.000 H45 H 1.37000 -2.11500 3.96400 1.000 H46 H -0.72400 -0.52600 8.13200 1.000 H47 H 2.50900 -2.46200 6.11800 1.000 H48 H 3.35200 -2.57000 9.10100 1.000 H49 H 2.59600 -3.34600 7.68800 1.000 H50 H 3.42400 -1.78000 7.50700 1.000 H51 H -5.38500 -1.51000 -0.98800 1.000 H52 H -3.77800 -0.45100 0.25700 1.000 H53 H -4.04800 0.32100 -1.32300 1.000 H54 H -1.84300 -1.70100 -0.68100 1.000 H55 H -1.98000 1.31600 -0.78500 1.000 H56 H 0.16800 -0.24000 0.49300 1.000 H57 H -0.43800 1.45900 -2.49700 1.000 H58 H 1.59500 0.44500 -2.21000 1.000 H59 H -0.07000 -1.53800 -2.64600 1.000 H60 H -2.45500 0.48900 -4.82000 1.000 H61 H 2.25800 0.69700 -10.32700 1.000 H62 H 3.18200 0.91100 -8.82000 1.000 H63 H 2.66600 -0.71500 -9.32400 1.000 H64 H -0.05800 -0.07100 -10.18700 1.000 H65 H 0.56700 -1.41200 -9.19800 1.000 H66 H -0.75900 -0.39700 -8.58400 1.000 H67 H 3.77300 -1.28300 -5.48500 1.000