B50CEU
  -OEChem-04022116583D

 21 22  0     0  0  0  0  0  0999 V2000
   -2.9618   -1.3979   -0.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979    1.3029   -0.1639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.6519   -0.0957 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6318   -0.6994    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232    0.7045    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550   -1.4370    0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613    1.4681    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9319    0.7052   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8411   -1.3931    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    1.3958   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0356   -0.6950   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308    0.6978   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576   -2.3820   -0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7881   -1.6428    1.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7222    1.7918    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535    2.3576   -0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583   -2.4794    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443    2.4828   -0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9711   -1.2372   -0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    1.2411   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0654   -1.7764    0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 21  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

$$$$