BTN0U3
  -OEChem-04022105453D

 21 22  0     0  0  0  0  0  0999 V2000
    3.7078   -0.9994    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7181    1.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7467    1.1166   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0294   -1.0880   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176    0.5854   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144   -0.7918   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829    1.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8802    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6357    0.0780   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082   -1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2611    0.8748    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0550    0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    2.2516    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777    2.1013   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3048   -2.7267    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -1.7400    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6361    0.9492    1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2810    1.8722   -0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9448    0.2464   -0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6820   -0.8836    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

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