B91OPF
  -OEChem-04022114473D

 20 20  0     1  0  0  0  0  0999 V2000
    2.0496   -1.1978    1.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476   -1.8190   -0.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1609   -0.5597    0.6237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -0.0299   -1.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978    0.7502   -1.5138 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    1.2663    0.1365 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2203    0.4731   -0.2454 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2965    1.4711    0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391    0.6148    0.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -0.9602    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.0088   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    2.0704   -0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274    2.4012    0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3511    1.1360    1.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961   -0.1555    1.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    1.3856    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742    0.2168   -2.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751    0.4642   -1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0989   -2.1546    1.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8312   -0.9741    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

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