# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IXD' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S -2.81700 -0.16400 0.22100 1.000 C1 C 0.27700 -0.67800 -0.83400 1.000 C2 C -0.40200 0.35900 0.07000 1.000 O3 O -1.70900 0.65200 -0.42900 1.000 C4 C 0.45000 1.63200 0.06500 1.000 O5 O 0.30700 2.29600 -1.19200 1.000 C6 C 1.89500 1.26800 0.27900 1.000 C7 C 2.34800 0.03600 0.10300 1.000 O8 O 1.55400 -0.99600 -0.27400 1.000 C9 C 3.78000 -0.22500 0.32700 1.000 O10 O -3.04400 0.41200 1.61100 1.000 O11 O -4.00000 0.10300 -0.52100 1.000 O12 O -2.29600 -1.47200 0.40900 1.000 O13 O 4.27400 -1.46800 0.15700 1.000 O14 O 4.51700 0.68000 0.66500 1.000 O15 O -0.52600 -1.85800 -0.90200 1.000 H16 H 0.40700 -0.26400 -1.83400 1.000 H17 H -0.47500 -0.03100 1.08600 1.000 H18 H 0.12000 2.29300 0.86600 1.000 H19 H 0.82100 3.11200 -1.26600 1.000 H20 H 2.58600 2.03900 0.58600 1.000 H21 H 5.22000 -1.59000 0.31500 1.000 H22 H -0.14600 -2.56300 -1.44500 1.000 H23 H -3.73600 -0.03800 2.11600 1.000