# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HXS' 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 -3.78400 -0.14500 -1.20400 1.000 C1 C -4.58300 -0.15300 -0.07000 1.000 C2 C -4.01900 0.08400 1.17500 1.000 C3 C -2.66400 0.32600 1.28300 1.000 C4 C -1.86900 0.33300 0.15200 1.000 O5 O -5.91700 -0.39100 -0.17900 1.000 C6 C -2.42800 0.09700 -1.09000 1.000 C7 C -0.39000 0.59800 0.27300 1.000 C8 C -0.02400 1.83200 -0.55400 1.000 C9 C -0.70600 3.06600 0.04100 1.000 C10 C 0.38900 -0.61200 -0.24500 1.000 C11 C 0.03800 -1.84200 0.59500 1.000 C12 C 0.70800 -3.07900 -0.00700 1.000 C13 C 1.86700 -0.33900 -0.14300 1.000 C14 C 2.65100 -0.35200 -1.28200 1.000 C15 C 4.00700 -0.10200 -1.19100 1.000 C16 C 4.58100 0.16300 0.04400 1.000 O17 O 5.91500 0.41000 0.13500 1.000 C18 C 3.79200 0.17500 1.18500 1.000 C19 C 2.43600 -0.07100 1.08800 1.000 H20 H -4.22000 -0.33300 -2.17400 1.000 H21 H -4.64000 0.07900 2.05900 1.000 H22 H -2.22400 0.51000 2.25300 1.000 H23 H -6.15600 -1.32500 -0.11300 1.000 H24 H -1.80600 0.10300 -1.97200 1.000 H25 H -0.13700 0.77300 1.31800 1.000 H26 H 1.05700 1.97200 -0.53900 1.000 H27 H -0.35800 1.69300 -1.58200 1.000 H28 H -1.78700 2.92600 0.02600 1.000 H29 H -0.37200 3.20500 1.06900 1.000 H30 H -0.44500 3.94500 -0.54800 1.000 H31 H 0.12400 -0.79600 -1.28700 1.000 H32 H 0.39200 -1.69800 1.61500 1.000 H33 H -1.04300 -1.98200 0.60100 1.000 H34 H 0.50900 -3.94400 0.62500 1.000 H35 H 0.30900 -3.25900 -1.00600 1.000 H36 H 1.78400 -2.91500 -0.07000 1.000 H37 H 2.20400 -0.55800 -2.24300 1.000 H38 H 4.61900 -0.11200 -2.08100 1.000 H39 H 6.14800 1.34400 0.04800 1.000 H40 H 4.23700 0.38000 2.14700 1.000 H41 H 1.82100 -0.05800 1.97500 1.000