BBJ39U
  -OEChem-04022107572D

 16 13  0     0  0  0  0  0  0999 V2000
    3.7320   -0.3170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3170    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.2320    0.5490    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.5490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  CHG  4   2   1   3   1   6  -1   7  -1
M  END

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