# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'PPY' 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 -0.05100 -0.00000 2.79300 1.000 O1 O -1.17900 -0.01100 3.23800 1.000 O2 O 1.00200 0.01000 3.63000 1.000 C3 C 0.16800 0.00100 1.31800 1.000 O4 O 1.29200 0.01300 0.87500 1.000 C5 C -1.01100 -0.01000 0.38100 1.000 C6 C -0.52000 -0.00500 -1.04300 1.000 C7 C -0.28300 -1.20000 -1.69700 1.000 C8 C 0.16600 -1.19500 -3.00400 1.000 C9 C 0.37900 0.00300 -3.65700 1.000 C10 C 0.14100 1.19800 -3.00400 1.000 C11 C -0.31300 1.19300 -1.69900 1.000 H12 H 0.86000 0.00900 4.58600 1.000 H13 H -1.60600 -0.90600 0.55700 1.000 H14 H -1.62400 0.87300 0.55700 1.000 H15 H -0.44900 -2.13700 -1.18600 1.000 H16 H 0.35200 -2.12900 -3.51400 1.000 H17 H 0.73100 0.00700 -4.67800 1.000 H18 H 0.30700 2.13500 -3.51500 1.000 H19 H -0.49900 2.12700 -1.18800 1.000