# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'IUP'
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    -1.87300   0.24500  -0.79000   1.000
    C1      C    -2.15300  -0.79500   0.01000   1.000
    C2      C    -0.66900   0.85700  -0.83500   1.000
    N3      N    -1.17900  -1.48400   0.66100   1.000
    O4      O    -3.31100  -1.13000   0.15700   1.000
    C5      C    0.09400  -1.06400   0.41000   1.000
    C6      C    0.38500   0.41300   0.15000   1.000
    N7      N    1.22000  -1.67900   0.28700   1.000
    O8      O    -0.44200   1.73400  -1.64000   1.000
    N9      N    1.72900   0.37600  -0.42800   1.000
    C10     C    2.17600  -0.88400  -0.22200   1.000
    O11     O    3.30900  -1.25300  -0.46800   1.000
    O12     O    0.33300   1.18300   1.35300   1.000
    O13     O    0.41400   2.63400   1.13900   1.000
    H14     H    0.37900   3.15400   1.95300   1.000
    H15     H    -1.37600  -2.22000   1.26200   1.000
    H16     H    -2.57400   0.57400  -1.37300   1.000
    H17     H    2.20000   1.10100  -0.86700   1.000