LKH4D0
  -OEChem-05032301443D

 10 10  0     0  0  0  0  0  0999 V2000
   -0.5176   -1.0954   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    0.6412    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    0.0164    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768    0.0164   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001    1.0756   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -0.6706    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925    0.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056   -2.0576   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    2.1308   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474   -1.3624    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  3  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END

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