D00670
  -OEChem-05072122013D

 21 22  0     0  0  0  0  0  0999 V2000
   -0.4586    2.7181    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4695   -1.5249   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456   -1.4090    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928    0.6039   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381    1.2470   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775   -0.9780    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9676   -0.5796   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536    0.7838   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850    1.4926   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424   -0.8370   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0267   -2.8565    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288    1.1905    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    0.1491    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    2.2150    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848   -3.1483   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -3.3753    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853   -3.1481    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8044    2.2826    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    0.8410    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    0.8410   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0359    0.2409    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$