BQ6T7Z
  -OEChem-04012112093D

 20 20  0     0  0  0  0  0  0999 V2000
    3.0736   -0.1793   -0.0009 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -0.8370    0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719    0.5118    1.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2684    0.5092   -1.2641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2901    0.0806   -0.0038 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2914   -1.8744    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2493   -0.6204   -0.0005 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1024   -1.5526   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.0979    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8141   -0.7328    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9848    0.0256    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992    1.2952    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134    1.4187    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714    2.0535   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374   -1.8200    0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    1.8505    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042    2.0417   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165    3.1383   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1046   -2.1253   -0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069   -2.1236    0.8541 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 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  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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