BU89JC
  -OEChem-04022107012D

 20 21  0     0  0  0  0  0  0999 V2000
    7.2641   -0.8291    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2641   -0.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7641   -1.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1984    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8718    1.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.6951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5320    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.9837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -1.1619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

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