BBTJ03
  -OEChem-04022105523D

 13 13  0     0  0  0  0  0  0999 V2000
   -2.3148    1.1800    0.0217 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4343   -1.7277   -0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4158   -0.7645    0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7403    0.5789    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538   -1.2785    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4539    1.4930   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074   -0.4536    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6902    0.9723   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589   -2.3565    0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015    2.5666   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -0.8293    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    1.6172   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -1.5683   -0.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END

$$$$