LK89RC
  -OEChem-05032301182D

 27 27  0     1  0  0  0  0  0999 V2000
    3.7320   -0.9602    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    1.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.0786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    0.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    2.3798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    1.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    3.6952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    3.2075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    3.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    1.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    0.0028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.5679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 10 20  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$