# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'C2V'
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    -5.11100   1.45100  -0.01600   1.000
    C1      C    2.42000   0.10100   0.07300   1.000
    C2      C    -6.84100  -2.93100  -0.05900   1.000
    C3      C    6.22000   0.04400   0.13400   1.000
    C4      C    2.10500  -1.26000   0.05000   1.000
    C5      C    7.13000  -1.18600   0.13300   1.000
    C6      C    9.43000  -1.89600   0.39900   1.000
    C7      C    -1.02000   1.63100   0.02500   1.000
    C8      C    -3.00800   2.58500   0.01200   1.000
    C9      C    -4.42200   0.21800  -0.01700   1.000
    C10     C    -0.87900   3.00200   0.03600   1.000
    C11     C    0.07000   0.63200   0.03000   1.000
    C12     C    -5.18400  -1.04700  -0.03200   1.000
    C13     C    -4.41700   2.61900  -0.00200   1.000
    C14     C    3.83300   0.53400   0.10200   1.000
    C15     C    1.39900   1.04900   0.06300   1.000
    C16     C    -4.64300  -2.28200  -0.04300   1.000
    C17     C    -5.56000  -3.31200  -0.05400   1.000
    C18     C    -0.23100  -0.73200   0.01800   1.000
    C19     C    0.78600  -1.66600   0.02200   1.000
    C20     C    8.89500  -0.05200  -1.07700   1.000
    N21     N    -2.36600   1.37300   0.01000   1.000
    N22     N    -3.10500   0.18600  -0.00400   1.000
    N23     N    -2.09200   3.54600   0.02800   1.000
    N24     N    4.82000  -0.38500   0.10600   1.000
    N25     N    8.53500  -0.75500   0.16200   1.000
    O26     O    4.10600   1.71800   0.12200   1.000
    S27     S    -6.93800  -1.17500  -0.04900   1.000
    H28     H    -6.19000   1.46500  -0.03100   1.000
    H29     H    -7.68900  -3.60000  -0.07100   1.000
    H30     H    6.40200   0.63000   1.03500   1.000
    H31     H    6.43100   0.65400  -0.74400   1.000
    H32     H    2.89500  -1.99600   0.05300   1.000
    H33     H    6.91900  -1.79500   1.01100   1.000
    H34     H    6.94800  -1.77100  -0.76800   1.000
    H35     H    9.30500  -2.62800  -0.39800   1.000
    H36     H    10.46300  -1.54900   0.41600   1.000
    H37     H    9.18600  -2.35600   1.35700   1.000
    H38     H    0.05600   3.54200   0.05000   1.000
    H39     H    -4.93900   3.56400  -0.00100   1.000
    H40     H    1.63700   2.10200   0.08200   1.000
    H41     H    -3.57700  -2.45100  -0.03600   1.000
    H42     H    -5.26400  -4.35100  -0.05800   1.000
    H43     H    -1.26100  -1.05600   0.00500   1.000
    H44     H    0.54800  -2.71900   0.00400   1.000
    H45     H    8.26200   0.82800  -1.19200   1.000
    H46     H    9.94000   0.25500  -1.02900   1.000
    H47     H    8.75100  -0.71800  -1.92800   1.000
    H48     H    4.60200  -1.33000   0.09000   1.000