# CIF file generated by openbabel 2.3.2, see http://openbabel.sf.net
data_I
_chemical_name_common 'CJQ'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_Cartn_x
    _atom_site_Cartn_y
    _atom_site_Cartn_z
      C    C1     1.21200    1.35300   -0.12600
      C    C2     2.62200    1.24300   -0.04500
      C    C3     3.45000    0.06400    0.22400
      C    C4     4.50800   -1.93500    1.12300
      C    C5     3.19400   -1.41600    0.50700
      C    C6     2.88600   -2.16100   -0.79300
      C    C7     2.51700   -3.58900   -0.47900
      C    C8    -0.98800    0.46400   -0.04500
      C    C9    -1.55200    0.81200    1.33400
      C    C10    -3.06300    1.02400    1.22700
      C    C11    -3.72400   -0.25700    0.71500
      C    C12    -3.15900   -0.60600   -0.66400
      C    C13    -1.64800   -0.81800   -0.55800
      C    C14    -7.37800   -1.07600    0.31500
      C    C15    -5.86800   -1.32400    0.35400
      O    O16     2.50300   -3.97200    0.67200
      N    N17     2.20400   -4.43900   -1.47600
      C    C18     5.53900   -0.96300    0.51500
      C    C19     4.75200    0.31300    0.22900
      C    C20     3.37600    2.39600   -0.24000
      S    S21     5.08200    2.01400   -0.09500
      N    N22     2.74700    3.55200   -0.49300
      C    C23     1.43700    3.60400   -0.55900
      N    N24     0.67900    2.53500   -0.38700
      O    O25     0.42400    0.26600    0.05400
      N    N26    -5.17500   -0.05400    0.61300
      O    O27    -7.67000   -0.08800   -0.67700
      C    C28    -7.01100    1.16200   -0.45500
      C    C29    -5.49600    0.93700   -0.42500
      H    H30     4.48900   -1.85300    2.21000
      H    H31     4.70700   -2.96100    0.81400
      H    H32     2.37300   -1.53100    1.21500
      H    H33     2.05400   -1.67500   -1.30200
      H    H34     3.76500   -2.14700   -1.43700
      H    H35    -1.19200    1.28000   -0.73800
      H    H36    -1.34700   -0.00400    2.02700
      H    H37    -1.08100    1.72500    1.69900
      H    H38    -3.46500    1.27300    2.21000
      H    H39    -3.26800    1.84000    0.53500
      H    H40    -3.51900   -1.07300    1.40800
      H    H41    -3.63000   -1.51900   -1.02800
      H    H42    -3.36400    0.21100   -1.35700
      H    H43    -1.24600   -1.06600   -1.54000
      H    H44    -1.44300   -1.63400    0.13500
      H    H45    -7.89300   -2.00400    0.06700
      H    H46    -7.71500   -0.72200    1.29000
      H    H47    -5.63600   -2.03300    1.14900
      H    H48    -5.54100   -1.72900   -0.60300
      H    H49     2.21500   -4.13200   -2.39700
      H    H50     1.96700   -5.35700   -1.27400
      H    H51     6.33900   -0.76300    1.22700
      H    H52     5.94800   -1.37300   -0.40900
      H    H53     0.96200    4.55200   -0.76500
      H    H54    -7.26000    1.85300   -1.26100
      H    H55    -7.33700    1.58100    0.49700
      H    H56    -4.99300    1.87700   -0.19900
      H    H57    -5.16300    0.56800   -1.39500