# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common '91X'
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    -0.08600  -0.14700  -0.17700   1.000
    O1      O    1.21600  -1.74000  -1.69500   1.000
    C2      C    2.69900  -0.61800   0.05900   1.000
    C3      C    5.01200  -0.81300   0.65400   1.000
    C4      C    5.13300   0.56600   0.66500   1.000
    C5      C    4.04400   1.35800   0.37300   1.000
    C6      C    2.81000   0.77200   0.06400   1.000
    C7      C    1.66500   1.63800  -0.24500   1.000
    C8      C    0.26400   1.20400  -0.14900   1.000
    C9      C    -0.74100   2.17500  -0.02600   1.000
    C10     C    -2.06000   1.80000   0.06300   1.000
    C11     C    -2.40600   0.44700   0.03300   1.000
    C12     C    -3.82600   0.04300   0.12900   1.000
    C13     C    -1.40900  -0.52100  -0.08800   1.000
    C14     C    3.79700  -1.40100   0.35100   1.000
    N15     N    -4.89800   0.86300   0.24400   1.000
    N16     N    -5.94500   0.11100   0.29800   1.000
    N17     N    -5.58200  -1.12100   0.22300   1.000
    N18     N    -4.30000  -1.18900   0.11500   1.000
    O19     O    1.88800   2.77700  -0.60700   1.000
    O20     O    0.91200  -2.32400   0.71600   1.000
    S21     S    1.15900  -1.38500  -0.32000   1.000
    H22     H    5.86900  -1.43100   0.88200   1.000
    H23     H    6.08200   1.02100   0.90200   1.000
    H24     H    4.14200   2.43400   0.38300   1.000
    H25     H    -0.47700   3.22200  -0.00200   1.000
    H26     H    -2.83000   2.55200   0.15600   1.000
    H27     H    -1.67500  -1.56800  -0.11100   1.000
    H28     H    3.70700  -2.47700   0.34400   1.000
    H29     H    -4.88100   1.83200   0.27900   1.000