# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'CGS'
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    0.01000  -0.09500  -0.63100   1.000
    C1      C    0.51500   1.18100  -1.14100   1.000
    C2      C    -1.36600  -0.50500  -0.91500   1.000
    S3      S    0.99800  -1.07600   0.26600   1.000
    C4      C    1.06400   0.98600  -2.53000   1.000
    C5      C    0.29300   1.29600  -3.64000   1.000
    C6      C    0.84000   1.10000  -4.89900   1.000
    C7      C    2.12600   0.60500  -5.00500   1.000
    N8      N    2.83000   0.32000  -3.92700   1.000
    C9      C    2.34500   0.50000  -2.71400   1.000
    C10     C    0.79400  -0.62300   1.95600   1.000
    C11     C    -0.17300  -1.24200   2.72500   1.000
    C12     C    -0.33400  -0.88900   4.05100   1.000
    C13     C    0.47500   0.08800   4.61100   1.000
    C14     C    1.44200   0.71100   3.83600   1.000
    C15     C    1.60400   0.35000   2.51200   1.000
    O16     O    0.31900   0.43700   5.91500   1.000
    C17     C    1.28600   1.45300   6.18900   1.000
    O18     O    2.32600  -0.70500  -0.07600   1.000
    O19     O    0.45300  -2.38300   0.14900   1.000
    C20     C    -2.32100   0.49400  -0.31500   1.000
    N21     N    -3.54100   0.09700   0.09800   1.000
    C22     C    -1.57800  -0.56800  -2.42900   1.000
    C23     C    -0.58600  -1.55900  -3.04100   1.000
    C24     C    -3.00700  -1.02700  -2.72500   1.000
    O25     O    -1.99300   1.65600  -0.20600   1.000
    O26     O    -4.43800   1.03600   0.66100   1.000
    H27     H    -0.29700   1.90700  -1.17000   1.000
    H28     H    1.30500   1.54700  -0.48600   1.000
    H29     H    -1.55000  -1.48800  -0.48100   1.000
    H30     H    -0.70800   1.68100  -3.52700   1.000
    H31     H    0.26800   1.33100  -5.78600   1.000
    H32     H    2.55900   0.44900  -5.98200   1.000
    H33     H    2.95200   0.25600  -1.85500   1.000
    H34     H    -0.80300  -2.00300   2.28900   1.000
    H35     H    -1.09000  -1.37300   4.65100   1.000
    H36     H    2.07500   1.47200   4.26900   1.000
    H37     H    2.36000   0.83100   1.91000   1.000
    H38     H    1.19800   1.76700   7.22900   1.000
    H39     H    2.28600   1.05900   6.01200   1.000
    H40     H    1.11000   2.30700   5.53600   1.000
    H41     H    -3.80400  -0.83200   0.01000   1.000
    H42     H    -1.41700   0.41900  -2.86000   1.000
    H43     H    -0.73700  -1.60400  -4.12000   1.000
    H44     H    0.43100  -1.23200  -2.83000   1.000
    H45     H    -0.74700  -2.54700  -2.61100   1.000
    H46     H    -3.16800  -2.01500  -2.29500   1.000
    H47     H    -3.71300  -0.32100  -2.28900   1.000
    H48     H    -3.15700  -1.07200  -3.80400   1.000
    H49     H    -5.24400   0.55200   0.88800   1.000