B3ADQ6
  -OEChem-04022106123D

 18 17  0     1  0  0  0  0  0999 V2000
   -2.2530    0.0060   -0.1256 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902   -0.0504    0.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110   -1.6436    0.8210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463   -1.2196    0.6981 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7598   -0.7954   -1.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156    1.2448    0.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3308   -0.3070   -1.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5272    1.7355    0.0803 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967    0.6886    0.4994 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2097    0.9711   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -0.6300   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694    0.6499    1.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585    1.9397    0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309    0.9884   -1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869    1.7677   -0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.5252    0.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -2.5081    0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605   -2.0770    0.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$