# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'ACN'
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    0.00000  -0.07600   0.00200   1.000
    O1      O    -0.00000  -1.28400  -0.00000   1.000
    C2      C    1.30500   0.67700  -0.00000   1.000
    C3      C    -1.30500   0.67700  -0.00000   1.000
    H4      H    1.61700   0.86000  -1.02800   1.000
    H5      H    1.17600   1.62900   0.51500   1.000
    H6      H    2.06600   0.08700   0.51100   1.000
    H7      H    -1.62200   0.85700   1.02700   1.000
    H8      H    -1.17300   1.63000  -0.51200   1.000
    H9      H    -2.06300   0.08900  -0.51700   1.000