# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'JW3'
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_occupancy
    O0      O    -0.09300  -2.06200  -0.00200   1.000
    C1      C    -0.24600  -0.85600  -0.00500   1.000
    C2      C    0.93100   0.03800  -0.00300   1.000
    C3      C    2.21700  -0.49900   0.00100   1.000
    C4      C    3.31900   0.35000   0.00200   1.000
    B5      B    4.77100  -0.24700   0.00700   1.000
    O6      O    4.96000  -1.65500   0.01100   1.000
    O7      O    5.89600   0.62000   0.00800   1.000
    C8      C    3.13200   1.73200  -0.00200   1.000
    C9      C    1.85600   2.26000  -0.00700   1.000
    C10     C    0.75700   1.42500  -0.01300   1.000
    N11     N    -1.48900  -0.33500  -0.01500   1.000
    C12     C    -2.65500  -1.22100  -0.02200   1.000
    C13     C    -3.91500  -0.39400  -0.03300   1.000
    O14     O    -4.57900   0.03900   1.05100   1.000
    C15     C    -5.65400   0.74600   0.66400   1.000
    C16     C    -5.68500   0.77100  -0.68000   1.000
    C17     C    -4.56100   0.04100  -1.13000   1.000
    H18     H    2.35700  -1.57000   0.00500   1.000
    H19     H    5.88800  -1.92700   0.01400   1.000
    H20     H    6.74700   0.16100   0.01100   1.000
    H21     H    3.98800   2.39100  -0.00100   1.000
    H22     H    1.71700   3.33100  -0.01000   1.000
    H23     H    -0.23800   1.84300  -0.02100   1.000
    H24     H    -2.62700  -1.85200  -0.91100   1.000
    H25     H    -6.37100   1.21500   1.32100   1.000
    H26     H    -6.42400   1.25900  -1.29800   1.000
    H27     H    -4.27900  -0.14000  -2.15700   1.000
    H28     H    -1.61100   0.62700  -0.01700   1.000
    H29     H    -2.64000  -1.84900   0.86900   1.000