B0KE1H
  -OEChem-04012113283D

 20 20  0     0  0  0  0  0  0999 V2000
    2.4634    1.4194    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488   -2.5995    0.0002 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2459   -0.9063   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931    0.1907    0.0001 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8965   -1.8549   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -1.3674    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.7283   -0.6115    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1060    1.7889   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944    0.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9831   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050   -0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938    1.2826    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166   -0.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113    3.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0296    1.9785    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4847   -2.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8576    3.5824    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    3.5824   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6413    3.8097   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618    2.3887    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  CHG  4   2  -1   4  -1   6   1   7   1
M  END

$$$$