D00XWD
  -OEChem-04152110123D

 45 46  0     0  0  0  0  0  0999 V2000
    1.0631   -3.1486   -0.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5349    1.0169    0.3084 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0058    1.9491    0.0408 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106    3.6941   -0.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9988   -1.2436    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4807    0.1911    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331   -0.1499    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3963    1.6018    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5336   -0.8314   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    2.0808    0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2874   -1.4677   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1887    2.4462    0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3090   -2.7660   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4794   -0.9190    1.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9166   -1.1510    0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9431   -0.6504   -1.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5277   -0.4707   -0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4335   -2.8154    0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8859   -3.0322   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5496    1.7145   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    1.0782    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -0.5469   -0.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    3.0817    0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896   -3.5494    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3430   -1.7106    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557   -3.4978   -0.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593    3.5289    0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7334    3.8455    0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8916   -3.6791   -0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6523   -2.3328    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -2.1096   -1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6976    4.6080    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1198    3.6605   -0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
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  2 11  1  0  0  0  0
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  2 31  1  0  0  0  0
  3 12  1  0  0  0  0
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M  END

$$$$