# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common '9DE'
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    1.92400   0.85900  -1.65500   1.000
    C1      C    2.80200  -0.18400  -1.43600   1.000
    C2      C    3.30600  -0.41100  -0.16800   1.000
    S3      S    4.42600  -1.74300   0.10700   1.000
    O4      O    4.32900  -2.07000   1.48700   1.000
    O5      O    4.19500  -2.68400  -0.93300   1.000
    N6      N    5.95500  -1.15300  -0.12700   1.000
    C7      C    2.93200   0.40500   0.88400   1.000
    C8      C    2.05300   1.44900   0.67200   1.000
    C9      C    1.55100   1.68400  -0.60200   1.000
    N10     N    0.66300   2.74000  -0.82000   1.000
    S11     S    -0.60400   2.98400   0.21900   1.000
    O12     O    -0.04900   3.02400   1.52600   1.000
    O13     O    -1.37500   4.04400  -0.33100   1.000
    C14     C    -1.61800   1.54500   0.15200   1.000
    C15     C    -1.45000   0.53800   1.08400   1.000
    C16     C    -2.24600  -0.59100   1.03300   1.000
    C17     C    -3.21100  -0.71300   0.04900   1.000
    Br18    Br   -4.30000  -2.25700  -0.02100   1.000
    C19     C    -3.37800   0.29500  -0.88300   1.000
    C20     C    -2.58600   1.42600  -0.82800   1.000
    H21     H    1.53200   1.03600  -2.64600   1.000
    H22     H    3.09600  -0.82300  -2.25500   1.000
    H23     H    6.70200  -1.53300   0.36200   1.000
    H24     H    6.10500  -0.42800  -0.75300   1.000
    H25     H    3.32700   0.22500   1.87300   1.000
    H26     H    1.76200   2.08600   1.49400   1.000
    H27     H    0.78800   3.32900  -1.58000   1.000
    H28     H    -0.69700   0.63300   1.85200   1.000
    H29     H    -2.11500  -1.37800   1.76100   1.000
    H30     H    -4.13400   0.20200  -1.64900   1.000
    H31     H    -2.71600   2.21300  -1.55600   1.000