# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common '96J'
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    -0.32700   0.52800  -0.66800   1.000
    C1      C    3.86000  -1.45400  -0.14700   1.000
    C2      C    -3.50800   0.02200  -0.13400   1.000
    C3      C    3.16200  -0.29100   0.09200   1.000
    C4      C    1.86700  -0.31500  -0.31900   1.000
    C5      C    -4.19500   0.35100   1.02000   1.000
    C6      C    -4.77300  -0.64300   1.78800   1.000
    C7      C    5.30600  -1.60100   0.25000   1.000
    C8      C    -3.39900  -1.30100  -0.52000   1.000
    C9      C    -3.97700  -2.29500   0.24800   1.000
    C10     C    -4.66400  -1.96600   1.40200   1.000
    C11     C    -5.52100  -0.28500   3.04600   1.000
    N12     N    -1.23600   1.51600  -0.55700   1.000
    N13     N    0.92700   0.71100  -0.20800   1.000
    N14     N    3.21300  -2.42200  -0.72800   1.000
    O15     O    -2.65500   0.75900  -2.42900   1.000
    O16     O    -3.49100   2.48400  -0.82400   1.000
    O17     O    -0.63800  -0.53000  -1.18000   1.000
    S18     S    -2.77800   1.28900  -1.11600   1.000
    S19     S    1.63100  -1.87500  -1.00400   1.000
    Br20    Br   3.94300   1.21600   0.92600   1.000
    H21     H    -4.28000   1.38400   1.32200   1.000
    H22     H    5.94400  -1.27800  -0.57300   1.000
    H23     H    5.50600  -0.98600   1.12800   1.000
    H24     H    5.51500  -2.64500   0.48400   1.000
    H25     H    -2.86300  -1.55800  -1.42200   1.000
    H26     H    -3.89200  -3.32900  -0.05400   1.000
    H27     H    -5.11600  -2.74300   2.00100   1.000
    H28     H    -6.57000  -0.11200   2.80700   1.000
    H29     H    -5.44100  -1.10300   3.76100   1.000
    H30     H    -5.09300   0.61900   3.47800   1.000
    H31     H    -0.98800   2.36000  -0.14800   1.000
    H32     H    1.17500   1.55500   0.20000   1.000