LKH4D9
  -OEChem-05032301202D

 20 21  0     0  0  0  0  0  0999 V2000
    4.2690    1.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.6677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -0.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078    0.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078   -2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 18  1  0  0  0  0
M  END

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