# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'J90'
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_occupancy
    N0      N    5.51700  -1.14300   0.00000   1.000
    C1      C    4.61700  -2.14700  -0.00600   1.000
    N2      N    3.33300  -1.91700   0.00000   1.000
    C3      C    2.84900  -0.66500   0.01300   1.000
    C4      C    3.72700   0.40600   0.02000   1.000
    C5      C    5.10300   0.14100   0.01300   1.000
    N6      N    1.48700  -0.44700   0.01900   1.000
    C7      C    -0.85600  -1.07300  -0.07300   1.000
    C8      C    -1.49300  -0.72000  -1.24800   1.000
    C9      C    -2.79700  -0.26300  -1.21700   1.000
    C10     C    -3.46500  -0.15900  -0.01100   1.000
    C11     C    -2.82800  -0.51300   1.16400   1.000
    C12     C    -1.52400  -0.96900   1.13300   1.000
    S13     S    -5.12700   0.42500   0.02900   1.000
    O14     O    -5.34000   0.93800   1.33700   1.000
    O15     O    -5.30800   1.19900  -1.14800   1.000
    N16     N    -6.11400  -0.89500  -0.12300   1.000
    N17     N    3.22300   1.79800   0.03400   1.000
    O18     O    2.02900   2.01300   0.14400   1.000
    O19     O    4.00200   2.72900  -0.06400   1.000
    O20     O    5.91200   1.05500   0.01900   1.000
    C21     C    0.56300  -1.57800  -0.10700   1.000
    H22     H    6.46500  -1.34500  -0.00100   1.000
    H23     H    4.96900  -3.16800  -0.01700   1.000
    H24     H    1.14000   0.45400   0.10700   1.000
    H25     H    -0.97200  -0.80100  -2.19000   1.000
    H26     H    -3.29500   0.01400  -2.13500   1.000
    H27     H    -3.34900  -0.43100   2.10700   1.000
    H28     H    -1.02600  -1.24500   2.05100   1.000
    H29     H    -6.99300  -0.89400   0.28800   1.000
    H30     H    -5.81400  -1.67100  -0.62300   1.000
    H31     H    0.74400  -2.09000  -1.05200   1.000
    H32     H    0.72300  -2.27100   0.71800   1.000