B39XFE
  -OEChem-04012113582D

 18 17  0     0  0  0  0  0  0999 V2000
    3.4030    0.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END

$$$$