# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'J25'
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    1.74800  -0.91000  -0.17000   1.000
    C1      C    0.46700  -1.49200   0.18800   1.000
    C2      C    -0.58700  -0.64000   0.00500   1.000
    S3      S    -0.05000   0.85900  -0.59800   1.000
    C4      C    1.62800   0.34700  -0.61100   1.000
    C5      C    2.79600   1.20500  -1.06500   1.000
    N6      N    4.03600   0.51200  -0.68100   1.000
    C7      C    4.11800  -0.93700  -0.92300   1.000
    C8      C    3.07600  -1.64200  -0.05200   1.000
    N9      N    -1.91000  -0.95300   0.27300   1.000
    C10     C    -2.87700  -0.03900   0.05600   1.000
    C11     C    -4.31500  -0.38000   0.34800   1.000
    C12     C    -5.18800   0.80400   0.02300   1.000
    C13     C    -5.75700   1.03900  -1.16000   1.000
    C14     C    -6.51800   2.19400  -1.22300   1.000
    C15     C    -6.56800   2.89700  -0.09000   1.000
    S16     S    -5.61900   2.08500   1.14900   1.000
    O17     O    -2.58800   1.05800  -0.37200   1.000
    C18     C    0.31800  -2.85700   0.69600   1.000
    O19     O    0.12200  -3.87900  -0.16300   1.000
    C20     C    -0.01800  -5.20500   0.41100   1.000
    C21     C    -0.23200  -6.22600  -0.70900   1.000
    O22     O    0.37100  -3.07100   1.89300   1.000
    C23     C    5.06400   1.18300  -0.12500   1.000
    O24     O    4.96600   2.50900   0.08600   1.000
    C25     C    6.11200   3.16700   0.68800   1.000
    C26     C    5.81700   4.66000   0.84900   1.000
    O27     O    6.07900   0.59200   0.18500   1.000
    H28     H    2.76300   1.33100  -2.14800   1.000
    H29     H    2.75100   2.17900  -0.57800   1.000
    H30     H    3.91500  -1.14300  -1.97400   1.000
    H31     H    5.11400  -1.29400  -0.66300   1.000
    H32     H    3.40400  -1.63400   0.98800   1.000
    H33     H    2.95500  -2.67100  -0.38900   1.000
    H34     H    -2.14100  -1.83100   0.61500   1.000
    H35     H    -4.61700  -1.23200  -0.26200   1.000
    H36     H    -4.42300  -0.63300   1.40300   1.000
    H37     H    -5.63300   0.37900  -2.00600   1.000
    H38     H    -7.03300   2.50300  -2.12100   1.000
    H39     H    -7.11000   3.82000   0.04700   1.000
    H40     H    0.88600  -5.45800   0.96500   1.000
    H41     H    -0.87400  -5.22100   1.08600   1.000
    H42     H    -1.13600  -5.97200  -1.26300   1.000
    H43     H    0.62400  -6.20900  -1.38300   1.000
    H44     H    -0.33600  -7.22100  -0.27800   1.000
    H45     H    6.31000   2.72800   1.66600   1.000
    H46     H    6.98400   3.03600   0.04800   1.000
    H47     H    5.61900   5.09800  -0.12800   1.000
    H48     H    4.94500   4.79000   1.49000   1.000
    H49     H    6.67700   5.15300   1.30100   1.000