# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CMS' 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 -0.43900 0.02700 1.50700 1.000 C1 C 1.93900 0.06400 0.98400 1.000 C2 C 0.21600 0.97600 -0.63800 1.000 C3 C -0.00800 -0.09000 -1.67900 1.000 N4 N -1.72900 0.18400 1.14800 1.000 N5 N 0.54300 0.34600 0.64200 1.000 O6 O 0.09400 -1.25600 -1.38100 1.000 O7 O -0.32200 0.25500 -2.93800 1.000 O8 O -0.16300 -0.40100 2.61000 1.000 H9 H 1.99300 -0.31800 2.00300 1.000 H10 H 2.33900 -0.67900 0.29500 1.000 H11 H 2.52500 0.98000 0.90900 1.000 H12 H -0.68800 1.57300 -0.52900 1.000 H13 H 1.04000 1.61800 -0.94900 1.000 H14 H -2.43500 0.02700 1.79500 1.000 H15 H -1.95200 0.45400 0.24300 1.000 H16 H -0.46600 -0.42800 -3.60500 1.000