# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'CK3'
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    5.69800  -0.70100   0.05000   1.000
    C1      C    4.19800  -0.55900   0.02600   1.000
    S2      S    3.24200   0.89100   0.04500   1.000
    N3      N    3.28100  -1.50000  -0.02100   1.000
    C4      C    2.00100  -1.21400  -0.03200   1.000
    C5      C    0.96300  -2.30500  -0.07900   1.000
    C6      C    1.63600   0.10900  -0.00500   1.000
    C7      C    0.29100   0.71600  -0.01400   1.000
    N8      N    -0.79900  -0.05100  -0.05900   1.000
    C9      C    0.13800   2.10900   0.01900   1.000
    C10     C    -1.14100   2.63000   0.00900   1.000
    N11     N    -2.17800   1.80600  -0.03200   1.000
    C12     C    -2.00500   0.49300  -0.06200   1.000
    N13     N    -3.11800  -0.33300  -0.10400   1.000
    C14     C    -4.38400   0.20900  -0.00700   1.000
    N15     N    -5.41500  -0.56600   0.05300   1.000
    O16     O    -5.24300  -1.97000   0.12900   1.000
    H17     H    6.04100  -0.76200   1.08300   1.000
    H18     H    5.98600  -1.60800  -0.48200   1.000
    H19     H    6.15300   0.16300  -0.43400   1.000
    H20     H    0.73200  -2.54200  -1.11800   1.000
    H21     H    1.34800  -3.19500   0.41900   1.000
    H22     H    0.05800  -1.96800   0.42700   1.000
    H23     H    1.00000   2.75900   0.05200   1.000
    H24     H    -1.29500   3.69900   0.03400   1.000
    H25     H    -3.00700  -1.29200  -0.20200   1.000
    H26     H    -4.51200   1.28100   0.01800   1.000
    H27     H    -6.12700  -2.35900   0.16500   1.000