# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'JKA'
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    -0.81800  -0.75400  -1.72000   1.000
    C1      C    -1.71900  -1.34500   1.01900   1.000
    C2      C    2.95700   0.94100  -1.28100   1.000
    S3      S    2.38500   0.09400   0.21700   1.000
    O4      O    2.83600  -1.25300   0.23100   1.000
    O5      O    2.54200   0.93100   1.35400   1.000
    N6      N    0.73700  -0.02700   0.02100   1.000
    C7      C    -0.13200   1.04400   0.51400   1.000
    C8      C    -1.24700   1.36300  -0.47400   1.000
    O9      O    -2.23000   2.18800   0.15500   1.000
    C10     C    -1.89000   0.11100  -1.04800   1.000
    C11     C    0.17000  -1.20700  -0.64300   1.000
    C12     C    -0.55600  -2.08600   0.37200   1.000
    C13     C    -2.64000  -0.71300  -0.01500   1.000
    O14     O    -3.62400   0.08800   0.64300   1.000
    H15     H    -1.28800  -1.62200  -2.18100   1.000
    H16     H    -0.30000  -0.16800  -2.47700   1.000
    H17     H    -2.30900  -2.07700   1.59900   1.000
    H18     H    -1.36000  -0.60500   1.72600   1.000
    H19     H    2.69400   0.34900  -2.15700   1.000
    H20     H    2.48200   1.92000  -1.34900   1.000
    H21     H    4.03900   1.06500  -1.23800   1.000
    H22     H    -0.53600   0.80200   1.49200   1.000
    H23     H    0.48600   1.95100   0.64100   1.000
    H24     H    -0.81300   1.94000  -1.30700   1.000
    H25     H    -1.88700   3.03300   0.47600   1.000
    H26     H    -2.60500   0.41900  -1.82700   1.000
    H27     H    0.98000  -1.78200  -1.11400   1.000
    H28     H    0.15000  -2.40100   1.14800   1.000
    H29     H    -0.93100  -2.98400  -0.13000   1.000
    H30     H    -3.17200  -1.52300  -0.54100   1.000
    H31     H    -4.18400  -0.40400   1.26000   1.000