# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common 'JW4'
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    -2.09400  -0.17000  -0.04200   1.000
    C1      C    -1.85000  -1.53900   0.00500   1.000
    C2      C    -0.56000  -2.02000  -0.15900   1.000
    C3      C    0.50300  -1.12800  -0.37300   1.000
    C4      C    0.25000   0.25900  -0.42000   1.000
    C5      C    -1.04600   0.72500  -0.25400   1.000
    C6      C    1.36000   1.21000  -0.64400   1.000
    C7      C    -3.47800   0.33900   0.12900   1.000
    C8      C    -4.30900   0.25800   1.28100   1.000
    N9      N    -5.42900   0.83800   0.96500   1.000
    O10     O    -5.41800   1.25200  -0.17100   1.000
    C11     C    -4.25200   1.00200  -0.78100   1.000
    C12     C    -3.87300   1.36900  -2.19300   1.000
    C13     C    -3.96100  -0.37500   2.60400   1.000
    N14     N    -0.00300  -3.28400  -0.16600   1.000
    C15     C    1.33200  -3.13600  -0.37600   1.000
    N16     N    1.62800  -1.87400  -0.49700   1.000
    C17     C    2.32500  -4.26700  -0.45500   1.000
    C18     C    1.88700  -5.63000   0.08200   1.000
    C19     C    2.90400  -4.79200   0.86000   1.000
    C20     C    2.07800   1.74300   0.45200   1.000
    C21     C    3.13700   2.65300   0.21600   1.000
    C22     C    3.45700   3.00800  -1.10600   1.000
    C23     C    2.75200   2.48100  -2.14600   1.000
    C24     C    1.71300   1.58400  -1.93100   1.000
    C25     C    1.76200   1.39100   1.77400   1.000
    C26     C    2.49700   1.94600   2.78400   1.000
    C27     C    3.52700   2.83400   2.48500   1.000
    N28     N    3.81900   3.16100   1.24900   1.000
    C29     C    0.95600   1.02200  -3.10600   1.000
    H30     H    -2.66600  -2.22700   0.16900   1.000
    H31     H    -1.24400   1.78700  -0.28900   1.000
    H32     H    -4.70600   1.88500  -2.67100   1.000
    H33     H    -3.00200   2.02300  -2.17700   1.000
    H34     H    -3.63700   0.46400  -2.75300   1.000
    H35     H    -3.50500   0.37100   3.25500   1.000
    H36     H    -4.86700  -0.76000   3.07200   1.000
    H37     H    -3.26000  -1.19300   2.44200   1.000
    H38     H    -0.47700  -4.12200  -0.04400   1.000
    H39     H    2.98200  -4.25500  -1.32500   1.000
    H40     H    0.88100  -5.71000   0.49300   1.000
    H41     H    2.25500  -6.51700  -0.43400   1.000
    H42     H    3.94100  -5.12800   0.85500   1.000
    H43     H    2.56600  -4.32000   1.78300   1.000
    H44     H    4.26200   3.70100  -1.29700   1.000
    H45     H    3.01100   2.76000  -3.15600   1.000
    H46     H    0.95900   0.70000   1.98700   1.000
    H47     H    2.28000   1.69600   3.81200   1.000
    H48     H    4.10100   3.26500   3.29200   1.000
    H49     H    1.43800   0.10500  -3.44400   1.000
    H50     H    -0.07000   0.80600  -2.80800   1.000
    H51     H    0.95200   1.75000  -3.91800   1.000