# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common '9XK'
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    9.83400  -0.40200  -0.02700   1.000
    C1      C    8.32700  -0.38500  -0.02100   1.000
    C2      C    7.65100   0.81400  -0.00300   1.000
    C3      C    6.25900   0.83400   0.00300   1.000
    C4      C    5.53400  -0.36100  -0.00900   1.000
    C5      C    6.24800  -1.57900  -0.02600   1.000
    C6      C    7.62000  -1.57900  -0.03800   1.000
    N7      N    4.20100  -0.16600  -0.00100   1.000
    C8      C    3.76900   1.04700   0.01600   1.000
    N9      N    2.43200   1.41100   0.02600   1.000
    C10     C    1.47500   0.46200   0.01800   1.000
    O11     O    1.78500  -0.71000   0.00200   1.000
    C12     C    0.02200   0.85900   0.02900   1.000
    S13     S    -1.00900  -0.62900   0.01400   1.000
    C14     C    -2.61000   0.10700   0.03000   1.000
    N15     N    -2.70900   1.41400   0.04700   1.000
    C16     C    -3.90000   2.04800   0.06000   1.000
    C17     C    -5.03600   1.27000   0.04900   1.000
    S18     S    -6.45000   2.33900   0.05600   1.000
    C19     C    -5.55400   3.87400  -0.39600   1.000
    C20     C    -4.13200   3.53800   0.09600   1.000
    C21     C    -4.93700  -0.13400   0.03400   1.000
    O22     O    -5.94200  -0.82700   0.02800   1.000
    N23     N    -3.71100  -0.69900   0.01900   1.000
    C24     C    -3.57100  -2.09300  -0.00100   1.000
    C25     C    -3.50200  -2.76700  -1.21300   1.000
    C26     C    -3.36400  -4.14100  -1.23000   1.000
    C27     C    -3.29500  -4.84500  -0.04200   1.000
    C28     C    -3.36400  -4.17700   1.16600   1.000
    C29     C    -3.49500  -2.80200   1.19000   1.000
    S30     S    5.11700   2.17600   0.02400   1.000
    H31     H    10.20100  -0.41900   0.99900   1.000
    H32     H    10.18500  -1.28900  -0.55300   1.000
    H33     H    10.20500   0.49100  -0.53100   1.000
    H34     H    8.20300   1.74300   0.00700   1.000
    H35     H    5.71100  -2.51600  -0.03500   1.000
    H36     H    8.15400  -2.51700  -0.05700   1.000
    H37     H    2.18500   2.34900   0.03900   1.000
    H38     H    -4.01100   3.89700   1.11800   1.000
    H39     H    -3.40300   4.03200  -0.54600   1.000
    H40     H    -3.55600  -2.21800  -2.14100   1.000
    H41     H    -3.31000  -4.66700  -2.17200   1.000
    H42     H    -3.18700  -5.92000  -0.05800   1.000
    H43     H    -3.31000  -4.72900   2.09200   1.000
    H44     H    -3.54400  -2.28000   2.13400   1.000
    H45     H    -0.19000   1.43900   0.92700   1.000
    H46     H    -0.19800   1.46100  -0.85300   1.000
    H47     H    -5.56900   4.03400  -1.47400   1.000
    H48     H    -5.96000   4.73600   0.13300   1.000