# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net
data_I
_chemical_name_common '958'
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    3.02000  -0.09200   0.59100   1.000
    C1      C    2.08900  -0.20500  -0.43500   1.000
    C2      C    1.81400  -1.47400  -0.97700   1.000
    C3      C    2.27600   1.90500   0.17500   1.000
    N4      N    2.45900  -2.55300  -0.48900   1.000
    N5      N    3.65000  -1.23800   1.05000   1.000
    C6      C    -7.22900   0.20100   1.57000   1.000
    C7      C    -6.02400  -0.39000   0.88500   1.000
    C8      C    -4.94100   0.41000   0.58500   1.000
    C9      C    -6.00300  -1.73600   0.56300   1.000
    C10     C    -4.90100  -2.28600  -0.06500   1.000
    C11     C    -3.81300  -1.49500  -0.37500   1.000
    C12     C    -3.82600  -0.13900  -0.04900   1.000
    C13     C    -2.66100   0.71300  -0.37300   1.000
    O14     O    -1.52700   0.31800  -0.98500   1.000
    N15     N    -2.54200   1.99600  -0.12300   1.000
    N16     N    -1.39700   2.40500  -0.54300   1.000
    C17     C    -0.74700   1.40900  -1.07600   1.000
    C18     C    0.62900   1.46900  -1.68700   1.000
    N19     N    1.62600   1.07900  -0.68700   1.000
    O20     O    1.00200  -1.59700  -1.87700   1.000
    C21     C    2.17700  -3.87700  -1.05000   1.000
    C22     C    3.35700  -2.43300   0.50400   1.000
    O23     O    3.92000  -3.42800   0.91900   1.000
    C24     C    4.63600  -1.14800   2.13000   1.000
    N25     N    3.10000   1.19800   0.92100   1.000
    N26     N    2.10600   3.26900   0.25100   1.000
    C27     C    2.59800   3.79000   1.53300   1.000
    C28     C    2.76100   3.94400  -0.87700   1.000
    H29     H    -7.93300   0.56000   0.82000   1.000
    H30     H    -7.70900  -0.56200   2.18300   1.000
    H31     H    -6.91600   1.03100   2.20300   1.000
    H32     H    -4.95700   1.46000   0.84000   1.000
    H33     H    -6.85200  -2.35900   0.80400   1.000
    H34     H    -4.89100  -3.33700  -0.31400   1.000
    H35     H    -2.95300  -1.92600  -0.86600   1.000
    H36     H    0.68000   0.78800  -2.53600   1.000
    H37     H    0.83200   2.48600  -2.02500   1.000
    H38     H    2.85500  -4.07100  -1.88100   1.000
    H39     H    2.31900  -4.63600  -0.28000   1.000
    H40     H    1.14700  -3.90900  -1.40600   1.000
    H41     H    4.13300  -1.26000   3.09100   1.000
    H42     H    5.37600  -1.93900   2.01300   1.000
    H43     H    5.13100  -0.17800   2.09000   1.000
    H44     H    3.65900   3.56300   1.63500   1.000
    H45     H    2.45200   4.87000   1.56700   1.000
    H46     H    2.04700   3.32300   2.35000   1.000
    H47     H    3.84000   3.79900  -0.81100   1.000
    H48     H    2.39600   3.52400  -1.81400   1.000
    H49     H    2.53500   5.01000  -0.84400   1.000