# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'CES'
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    118.54500  62.15100  69.57500   1.000
    O1      O    119.80300  62.26000  68.90300   1.000
    C2      C    119.35200  62.43500  67.61100   1.000
    C3      C    117.99300  62.45600  67.33500   1.000
    C4      C    117.58300  62.26000  68.58200   1.000
    C5      C    120.41300  63.27200  73.62600   1.000
    O6      O    119.56400  62.26200  73.09400   1.000
    N7      N    119.42600  62.55900  71.69600   1.000
    C8      C    118.38400  61.97800  71.05600   1.000
    C9      C    114.22800  63.91300  77.17600   1.000
    O10     O    113.06000  63.50200  77.34900   1.000
    O11     O    114.53000  65.13200  77.17100   1.000
    O12     O    114.95700  63.07900  73.38100   1.000
    C13     C    114.80600  61.85900  73.42400   1.000
    C14     C    116.90100  63.67700  78.72100   1.000
    C15     C    116.65400  62.77000  77.75100   1.000
    C16     C    117.58300  61.75000  77.46000   1.000
    S17     S    117.87400  61.30600  75.76700   1.000
    C18     C    116.16400  60.94800  75.36400   1.000
    N19     N    115.15000  61.82600  76.05700   1.000
    C20     C    115.37600  62.83200  76.97200   1.000
    C21     C    115.96100  60.93200  73.76400   1.000
    N22     N    117.22600  61.26800  73.01400   1.000
    C23     C    117.23900  61.30200  71.65600   1.000
    O24     O    116.31600  60.79500  70.99800   1.000
    O25     O    113.56400  61.26900  73.73900   1.000
    H26     H    120.08200  62.55800  66.79300   1.000
    H27     H    117.41300  62.58800  66.40500   1.000
    H28     H    116.50000  62.19100  68.78200   1.000
    H29     H    120.52000  63.04100  74.71100   1.000
    H30     H    121.38700  63.36100  73.09100   1.000
    H31     H    120.05300  64.30700  73.42400   1.000
    H32     H    112.83100  62.57900  77.35200   1.000
    H33     H    116.16600  64.48300  78.95100   1.000
    H34     H    117.11700  63.12400  79.66500   1.000
    H35     H    117.88500  64.15500  78.50600   1.000
    H36     H    118.55800  62.00600  77.93600   1.000
    H37     H    117.29800  60.83300  78.02700   1.000
    H38     H    115.95700  59.93000  75.77000   1.000
    H39     H    114.49400  61.18700  76.50700   1.000
    H40     H    115.71000  59.89700  73.43100   1.000
    H41     H    118.12200  61.48400  73.44900   1.000
    H42     H    113.44700  60.32600  73.77200   1.000