B0CW4Y
  -OEChem-04012112483D

 20 20  0     0  0  0  0  0  0999 V2000
    3.1471   -0.2803    0.0002 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9803    0.8723   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834   -0.9950   -1.2619 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832   -0.9944    1.2625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874    0.6776    0.0009 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8340   -1.4732    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4714   -0.2736    0.0002 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6000    0.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    0.5921   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    0.0192   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2825    1.6311   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139   -0.7334   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6476    1.3447   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1513   -1.0198   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0506    2.6654   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -1.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434    2.1797   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535   -2.0641   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    1.1656    0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081    1.1652   -0.8546 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  8  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 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

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