# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'ACE'
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    -0.13300   0.45300   0.00000   1.000
    O1      O    -1.11300  -0.25200   0.00000   1.000
    C2      C    1.24100  -0.16700   0.00000   1.000
    H3      H    -0.24000   1.52800   0.00000   1.000
    H4      H    1.36000  -0.78500   0.89000   1.000
    H5      H    1.36000  -0.78500  -0.89000   1.000
    H6      H    1.99500   0.62000   0.00000   1.000