BG9NK1
  -OEChem-04042102233D

 20 20  0     0  0  0  0  0  0999 V2000
    3.7608   -0.4391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354    1.7449   -0.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495   -2.5503    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687    0.5382   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6451    0.3662   -1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454    0.3711    1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422    0.8920   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981    0.0272   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9985    0.0320    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6748   -0.1400    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4632    0.0040    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8443    0.5587   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351   -1.4048    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1319    0.4935   -2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325    0.5021    2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6318    1.9629   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5249   -0.1066   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5257   -0.0982    2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7282   -0.4040    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790   -0.0938   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  3  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  2  0  0  0  0
  6 15  1  0  0  0  0
  7 11  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END

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