# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C3H' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 4.58100 -1.72600 0.58400 1.000 C1 C 5.13100 -0.87100 -0.06900 1.000 O2 O 6.37400 -1.07500 -0.53100 1.000 C3 C 4.41700 0.42200 -0.37100 1.000 N4 N 3.08300 0.39600 0.23400 1.000 C5 C 2.26000 1.45400 0.09400 1.000 O6 O 2.62300 2.42600 -0.53300 1.000 C7 C 0.88700 1.42700 0.71600 1.000 N8 N 0.38300 2.80100 0.84800 1.000 C9 C -0.06000 0.62000 -0.17300 1.000 S10 S -1.71200 0.58800 0.57600 1.000 C11 C -2.67600 -0.39800 -0.60300 1.000 C12 C -2.66400 0.28700 -1.97100 1.000 C13 C -4.11800 -0.52000 -0.10700 1.000 C14 C -4.77500 0.86200 -0.10300 1.000 O15 O -6.12200 0.74800 0.36100 1.000 C16 C -2.05900 -1.79300 -0.72600 1.000 C17 C -2.18400 -2.52500 0.61200 1.000 C18 C -1.56700 -3.92000 0.48900 1.000 H19 H 6.79000 -1.92100 -0.31500 1.000 H20 H 4.98700 1.25500 0.04000 1.000 H21 H 4.32500 0.54200 -1.45100 1.000 H22 H 2.79300 -0.38200 0.73500 1.000 H23 H 0.94400 0.96500 1.70100 1.000 H24 H 0.95600 3.33700 1.48200 1.000 H25 H 0.32200 3.25200 -0.05200 1.000 H26 H -0.11700 1.08200 -1.15800 1.000 H27 H 0.31400 -0.39900 -0.27100 1.000 H28 H -1.63600 0.37400 -2.32500 1.000 H29 H -3.24300 -0.30500 -2.68000 1.000 H30 H -3.10300 1.28100 -1.88400 1.000 H31 H -4.67500 -1.18500 -0.76700 1.000 H32 H -4.12100 -0.92700 0.90400 1.000 H33 H -4.21800 1.52700 0.55800 1.000 H34 H -4.77200 1.26900 -1.11400 1.000 H35 H -6.60000 1.58800 0.38900 1.000 H36 H -2.58300 -2.35500 -1.49900 1.000 H37 H -1.00700 -1.70200 -0.99400 1.000 H38 H -1.66000 -1.96300 1.38400 1.000 H39 H -3.23700 -2.61600 0.87900 1.000 H40 H -1.65600 -4.44200 1.44100 1.000 H41 H -2.09200 -4.48200 -0.28400 1.000 H42 H -0.51500 -3.82900 0.22100 1.000