# CIF file generated by openbabel 2.3.2, see http://openbabel.sf.net data_I _chemical_name_common 'PSU' loop_ _atom_site_type_symbol _atom_site_label _atom_site_Cartn_x _atom_site_Cartn_y _atom_site_Cartn_z N N1 -0.87000 1.10100 4.51700 C C2 -1.58700 -0.03500 4.56700 N N3 -1.51000 -0.94600 3.58000 C C4 -0.71000 -0.72800 2.51600 C C5 0.05300 0.46100 2.45300 C C6 -0.04300 1.35700 3.45800 O O7 -2.31600 -0.24300 5.51800 O O8 -0.63900 -1.55200 1.62100 C C9 0.95900 0.72600 1.27800 C C10 2.03100 -0.38000 1.16500 O O11 3.26100 0.04800 1.75100 C C12 2.19900 -0.58500 -0.35700 C C13 1.20800 0.41800 -0.98600 O O14 3.53700 -0.28600 -0.75800 O O15 0.21700 0.64900 0.04200 C C16 0.55300 -0.17800 -2.23300 O O17 -0.40900 0.74100 -2.75100 P P18 -1.05600 0.05200 -4.05500 O O19 -1.70100 -1.22200 -3.67000 O O20 -2.15600 1.03900 -4.69400 O O21 0.09900 -0.23600 -5.13800 H H22 -0.94000 1.74500 5.23900 H H23 -2.03300 -1.76100 3.63100 H H24 0.52900 2.27300 3.42600 H H25 1.43200 1.70300 1.37700 H H26 1.68300 -1.29800 1.63800 H H27 3.90500 -0.65600 1.59600 H H28 1.93600 -1.60600 -0.63500 H H29 1.72000 1.34800 -1.23500 H H30 4.11100 -0.92400 -0.31200 H H31 1.31500 -0.36900 -2.98700 H H32 0.05800 -1.11300 -1.97100 H H33 -2.51700 0.58900 -5.47000 H H34 0.49300 0.61700 -5.36100