# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COX' 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 -4.11300 -0.52300 -0.01800 1.000 O1 O -4.51200 -0.55200 1.34500 1.000 O2 O -4.14400 -1.63100 -0.90800 1.000 N3 N -5.03400 0.65300 -0.73200 1.000 C4 C -2.44400 0.04300 -0.01700 1.000 C5 C -1.61700 -0.24800 -1.08700 1.000 C6 C -0.31100 0.19700 -1.09300 1.000 C7 C 0.17800 0.93100 -0.01500 1.000 C8 C -0.66000 1.22200 1.06000 1.000 C9 C -1.96600 0.77600 1.05400 1.000 C10 C 1.58300 1.40700 -0.01300 1.000 C11 C 2.04500 2.69200 -0.05500 1.000 C12 C 1.21300 3.94700 -0.10800 1.000 O13 O 3.38200 2.61900 -0.03400 1.000 N14 N 3.79600 1.48600 0.00900 1.000 C15 C 2.82300 0.61000 0.02400 1.000 C16 C 2.94200 -0.86800 0.07500 1.000 C17 C 3.93000 -1.51600 -0.66400 1.000 C18 C 4.03600 -2.89100 -0.61300 1.000 C19 C 3.16500 -3.62600 0.17000 1.000 C20 C 2.18200 -2.98800 0.90600 1.000 C21 C 2.07100 -1.61300 0.86700 1.000 H22 H -5.83800 0.41100 -1.21800 1.000 H23 H -4.77000 1.58400 -0.66300 1.000 H24 H -1.99500 -0.82200 -1.92000 1.000 H25 H 0.33400 -0.03100 -1.92900 1.000 H26 H -0.28800 1.79400 1.89700 1.000 H27 H -2.61700 1.00100 1.88600 1.000 H28 H 1.86800 4.81700 -0.12800 1.000 H29 H 0.59600 3.93600 -1.00700 1.000 H30 H 0.57100 3.99500 0.77200 1.000 H31 H 4.61100 -0.94300 -1.27600 1.000 H32 H 4.80200 -3.39400 -1.18600 1.000 H33 H 3.25100 -4.70200 0.20700 1.000 H34 H 1.50400 -3.56700 1.51500 1.000 H35 H 1.30300 -1.11600 1.44200 1.000