BW8B3S
  -OEChem-04022118133D

 21 22  0     0  0  0  0  0  0999 V2000
    4.3805   -0.5362   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7650    1.6519   -0.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0545   -0.2685    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661   -1.5104    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891   -1.3893    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205   -0.0536    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9291    0.6780    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    1.2482    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976   -1.1384   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0890   -0.0554   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2993    1.4655    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755   -0.9211   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1762    0.3808   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264    0.4486   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7666    1.7462    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877    2.1287    0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482   -2.1676   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6902    2.4788    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3589   -1.7652   -0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2490    0.5499   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2871   -0.1614   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

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