# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'AQ3'
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    -4.96800   1.73400  -0.10300   1.000
    C1      C    -5.40800   0.56000   0.42400   1.000
    C2      C    -6.63500   0.50400   1.06500   1.000
    C3      C    -7.08100  -0.69000   1.60200   1.000
    C4      C    -6.30700  -1.83100   1.50000   1.000
    C5      C    -5.08200  -1.78300   0.86100   1.000
    C6      C    -4.63000  -0.59000   0.31600   1.000
    N7      N    -3.39200  -0.54100  -0.33600   1.000
    O8      O    6.45500  -0.73100   1.38900   1.000
    P9      P    5.09500  -1.19700   0.66400   1.000
    O10     O    5.41200  -1.73700  -0.67700   1.000
    O11     O    4.37900  -2.33700   1.54700   1.000
    O12     O    4.10700   0.06600   0.51400   1.000
    C13     C    2.86100   0.00000  -0.18300   1.000
    C14     C    2.18800   1.34800  -0.13600   1.000
    C15     C    2.79000   2.40800   0.51600   1.000
    N16     N    2.21000   3.59100   0.56400   1.000
    C17     C    0.96100   1.54000  -0.74900   1.000
    C18     C    0.38000   2.80300  -0.68400   1.000
    O19     O    -0.82600   3.03700  -1.26600   1.000
    C20     C    1.04100   3.81400  -0.00200   1.000
    C21     C    0.42300   5.18600   0.07700   1.000
    C22     C    0.27300   0.41000  -1.47000   1.000
    N23     N    -0.59400  -0.31500  -0.53100   1.000
    C24     C    -1.28200  -1.42600  -1.20000   1.000
    C25     C    -0.38800  -2.63900  -1.20900   1.000
    O26     O    -0.81100  -3.78100  -1.77200   1.000
    O27     O    0.71100  -2.58300  -0.70900   1.000
    C28     C    -2.57500  -1.75200  -0.44900   1.000
    H29     H    -5.23600   1.87700  -1.02100   1.000
    H30     H    -7.24300   1.39300   1.14700   1.000
    H31     H    -8.03800  -0.73100   2.10200   1.000
    H32     H    -6.65900  -2.76100   1.92000   1.000
    H33     H    -4.47800  -2.67500   0.78300   1.000
    H34     H    -3.07600   0.29500  -0.71400   1.000
    H35     H    7.09800  -1.44200   1.51300   1.000
    H36     H    4.14300  -2.05200   2.44000   1.000
    H37     H    3.04000  -0.28000  -1.22100   1.000
    H38     H    2.21900  -0.74300   0.28900   1.000
    H39     H    3.74900   2.26500   0.99300   1.000
    H40     H    -0.76700   3.34300  -2.18200   1.000
    H41     H    -0.21000   5.24900   0.96200   1.000
    H42     H    1.21200   5.93600   0.14000   1.000
    H43     H    -0.17900   5.36600  -0.81400   1.000
    H44     H    -0.33000   0.81200  -2.28500   1.000
    H45     H    1.02100  -0.27200  -1.87400   1.000
    H46     H    -1.25500   0.31000  -0.09400   1.000
    H47     H    -1.52000  -1.14200  -2.22500   1.000
    H48     H    -0.20200  -4.53200  -1.75400   1.000
    H49     H    -2.33300  -2.12100   0.54800   1.000
    H50     H    -3.13000  -2.51500  -0.99400   1.000