# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common '91S'
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    -6.97100  -0.75000  -1.25400   1.000
    C1      C    -6.37900  -0.78400  -0.19600   1.000
    C2      C    -7.15100  -0.86800   1.09600   1.000
    C3      C    -8.65100  -0.89600   0.79400   1.000
    N4      N    -5.03200  -0.75200  -0.17500   1.000
    C5      C    -4.26000  -0.67600  -1.42500   1.000
    C6      C    -3.25700   0.47600  -1.30800   1.000
    C7      C    -4.29600  -0.78600   1.09700   1.000
    C8      C    -3.29100   0.37100   1.11000   1.000
    N9      N    -2.45400   0.30100  -0.09000   1.000
    C10     C    -1.43300   1.22700  -0.03300   1.000
    N11     N    -1.69600   2.52600   0.01900   1.000
    C12     C    -0.72700   3.42600   0.07400   1.000
    N13     N    0.54500   3.10500   0.08100   1.000
    C14     C    0.92200   1.81800   0.03100   1.000
    C15     C    -0.07900   0.81600  -0.02300   1.000
    C16     C    0.28500  -0.53600  -0.06900   1.000
    C17     C    1.60100  -0.88500  -0.05700   1.000
    Cl18    Cl   2.04400  -2.56200  -0.11500   1.000
    C19     C    2.27200   1.44200   0.03700   1.000
    F20     F    3.24100   2.38200   0.09500   1.000
    C21     C    2.60400   0.09600   0.00100   1.000
    C22     C    4.02900  -0.31000   0.01300   1.000
    C23     C    4.72900  -0.45500  -1.18900   1.000
    O24     O    4.10400  -0.22400  -2.37300   1.000
    C25     C    4.68100  -0.54400   1.22400   1.000
    F26     F    4.01500  -0.40200   2.39100   1.000
    C27     C    6.01200  -0.92200   1.22900   1.000
    C28     C    6.69700  -1.06900   0.03600   1.000
    C29     C    6.06100  -0.83500  -1.16800   1.000
    H30     H    -6.87000  -1.77700   1.62800   1.000
    H31     H    -6.92100   0.00000   1.71400   1.000
    H32     H    -9.20800  -0.95700   1.72800   1.000
    H33     H    -8.93100   0.01300   0.26200   1.000
    H34     H    -8.88000  -1.76400   0.17600   1.000
    H35     H    -3.72500  -1.61300  -1.58200   1.000
    H36     H    -4.93400  -0.49200  -2.26100   1.000
    H37     H    -2.60200   0.47800  -2.17900   1.000
    H38     H    -3.79500   1.42300  -1.25500   1.000
    H39     H    -4.99300  -0.67400   1.92700   1.000
    H40     H    -3.76400  -1.73400   1.18700   1.000
    H41     H    -3.82900   1.31900   1.12400   1.000
    H42     H    -2.66100   0.29600   1.99600   1.000
    H43     H    -0.99500   4.47100   0.11400   1.000
    H44     H    -0.47700  -1.30000  -0.11500   1.000
    H45     H    4.16500   0.69200  -2.67800   1.000
    H46     H    6.51700  -1.10300   2.16600   1.000
    H47     H    7.73600  -1.36400   0.04700   1.000
    H48     H    6.60400  -0.94700  -2.09500   1.000