# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'CBH'
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    -0.75800   1.09900   6.06700   1.000
    C1      C    -0.04000   0.12700   5.48200   1.000
    O2      O    0.09300  -0.93900   6.03300   1.000
    C3      C    0.59600   0.36600   4.13700   1.000
    N4      N    1.82200  -0.43500   4.02700   1.000
    C5      C    -0.37900  -0.04000   3.03100   1.000
    C6      C    0.26800   0.20200   1.66600   1.000
    S7      S    -0.88800  -0.27900   0.35400   1.000
    C8      C    0.11400   0.10500  -1.10700   1.000
    C9      C    -0.67700  -0.22800  -2.37200   1.000
    C10     C    0.16800   0.09500  -3.60400   1.000
    C11     C    -0.62400  -0.23900  -4.87000   1.000
    C12     C    0.20900   0.08000  -6.08400   1.000
    O13     O    1.32200   0.53000  -5.95100   1.000
    O14     O    -0.28500  -0.13400  -7.31300   1.000
    H15     H    -1.16700   0.94500   6.92900   1.000
    H16     H    0.84200   1.42300   4.03500   1.000
    H17     H    1.54800  -1.40000   4.12800   1.000
    H18     H    2.15700  -0.32500   3.08100   1.000
    H19     H    -0.62500  -1.09700   3.13300   1.000
    H20     H    -1.28900   0.55400   3.11200   1.000
    H21     H    0.51400   1.25900   1.56300   1.000
    H22     H    1.17800  -0.39100   1.58400   1.000
    H23     H    0.36600   1.16600  -1.10600   1.000
    H24     H    1.03000  -0.48500  -1.08500   1.000
    H25     H    -0.92900  -1.28900  -2.37300   1.000
    H26     H    -1.59300   0.36100  -2.39400   1.000
    H27     H    0.42000   1.15600  -3.60300   1.000
    H28     H    1.08300  -0.49500  -3.58200   1.000
    H29     H    -0.87600  -1.29900  -4.87100   1.000
    H30     H    -1.54000   0.35100  -4.89200   1.000
    H31     H    0.24900   0.07100  -8.09200   1.000