B40TFX
  -OEChem-04022108433D

 20 21  0     0  0  0  0  0  0999 V2000
    2.0965    1.9537    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163    0.3550    0.0003 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2502   -2.1789    0.0004 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4450   -2.2206   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    0.5803    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7068    1.9884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594   -1.5809    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0975    0.4005   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030    0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -0.1721   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779    0.2466    1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779    0.2469   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384   -0.0608    1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1385   -0.0605   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8187   -0.2143    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2622    0.3624    2.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624    0.3628   -2.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6681   -0.1809    2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6685   -0.1803   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8780   -0.4538    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5 10  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  4   2  -1   3  -1   5   1   7   1
M  END

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