# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'CJ3'
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_occupancy
    B0      B    -0.22600  -0.68800  -0.44800   1.000
    C1      C    1.30500  -0.47300  -0.12400   1.000
    C2      C    2.17100  -1.52300   0.12700   1.000
    C3      C    3.49600  -1.25200   0.40700   1.000
    C4      C    3.95400   0.05800   0.43800   1.000
    C5      C    3.10500   1.11300   0.19000   1.000
    C6      C    1.76000   0.86500  -0.10000   1.000
    C7      C    0.82200   1.95000  -0.38000   1.000
    N8      N    -0.46100   1.79600  -0.43300   1.000
    N9      N    -1.08500   0.55700  -0.21800   1.000
    C10     C    -2.37100   0.46700   0.17700   1.000
    N11     N    -3.09400   1.58600   0.37700   1.000
    S12     S    -3.08400  -1.06900   0.42400   1.000
    O13     O    -0.75400  -1.92100  -0.91500   1.000
    H14     H    1.81500  -2.54200   0.10400   1.000
    H15     H    4.18000  -2.06500   0.60300   1.000
    H16     H    4.99300   0.25300   0.66100   1.000
    H17     H    3.47600   2.12700   0.21800   1.000
    H18     H    1.22400   2.93800  -0.55000   1.000
    H19     H    -2.69000   2.45700   0.23700   1.000
    H20     H    -4.01900   1.52100   0.66200   1.000
    H21     H    -1.70800  -1.90600  -1.07100   1.000