# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common '99K'
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    5.08400  -1.23700  -0.46900   1.000
    O1      O    3.45600  -1.81600   0.74100   1.000
    C2      C    -0.10600  -0.23600  -0.03700   1.000
    C3      C    -1.87600   1.24400   0.03300   1.000
    C4      C    -2.79200   0.21100   0.00800   1.000
    C5      C    -2.33800  -1.10000  -0.03700   1.000
    C6      C    -0.97200  -1.32500  -0.06500   1.000
    C7      C    -4.27000   0.50400   0.02900   1.000
    N8      N    4.04900  -0.96000   0.11000   1.000
    C9      C    3.51200   0.41800   0.04700   1.000
    C10     C    4.36700   1.50500   0.06800   1.000
    C11     C    3.81900   2.78000   0.00100   1.000
    C12     C    2.44900   2.92400  -0.08300   1.000
    N13     N    1.65800   1.86900  -0.10000   1.000
    C14     C    2.14100   0.63700  -0.03800   1.000
    N15     N    1.26900  -0.44700  -0.06600   1.000
    N16     N    -0.58000   1.00000   0.01000   1.000
    Cl17    Cl   -0.34800  -2.94400  -0.13500   1.000
    F18     F    -4.86500  -0.01500  -1.12500   1.000
    F19     F    -4.84700  -0.08800   1.15800   1.000
    F20     F    -4.47000   1.88800   0.07500   1.000
    H21     H    -2.22500   2.26500   0.06800   1.000
    H22     H    -3.03400  -1.92500  -0.05700   1.000
    H23     H    5.43600   1.36600   0.13400   1.000
    H24     H    4.45900   3.65000   0.01500   1.000
    H25     H    2.01900   3.91400  -0.13400   1.000
    H26     H    1.62100  -1.35000  -0.10500   1.000