# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'H6D' 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 4.36700 2.19700 -1.48800 1.000 S1 S 4.50700 1.32100 0.09500 1.000 O2 O 4.17300 2.20400 1.15600 1.000 C3 C 3.13900 0.21200 0.05600 1.000 C4 C 1.83700 0.69900 0.05700 1.000 C5 C 0.77200 -0.18000 0.02700 1.000 N6 N 0.98000 -1.53000 -0.00400 1.000 C7 C 2.22700 -2.03700 -0.00600 1.000 O8 O 2.39400 -3.24400 -0.03400 1.000 C9 C 3.34800 -1.16700 0.01900 1.000 C10 C 4.67700 -1.69900 0.01100 1.000 N11 N 5.73200 -2.12000 0.00500 1.000 C12 C -0.60800 0.34500 0.02800 1.000 C13 C -0.83300 1.72300 0.06000 1.000 C14 C -2.12400 2.21000 0.06100 1.000 C15 C -3.19700 1.33800 0.03200 1.000 C16 C -2.98300 -0.03400 0.00000 1.000 C17 C -1.69200 -0.53400 -0.00800 1.000 O18 O -4.04100 -0.88600 -0.02800 1.000 C19 C -5.34500 -0.30100 -0.02300 1.000 F20 F -5.49300 0.51800 -1.14700 1.000 F21 F -6.31100 -1.31400 -0.05500 1.000 F22 F -5.50900 0.46400 1.13600 1.000 H23 H 5.17700 2.92100 -1.57500 1.000 H24 H 4.43200 1.48000 -2.30600 1.000 H25 H 3.40900 2.71400 -1.53300 1.000 H26 H 1.65800 1.76400 0.08200 1.000 H27 H 0.21900 -2.13100 -0.02500 1.000 H28 H 0.00200 2.40700 0.08400 1.000 H29 H -2.29800 3.27500 0.08600 1.000 H30 H -4.20500 1.72500 0.03300 1.000 H31 H -1.52500 -1.60100 -0.03800 1.000