BU89JC
  -OEChem-04042103493D

 20 21  0     0  0  0  0  0  0999 V2000
   -3.0919   -0.0896   -0.1974 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167   -1.0579    0.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2955   -0.3411    0.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1086   -0.2357   -1.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156   -0.7179   -0.1571 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8289    1.4227   -0.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    0.2186   -0.1127 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2045    0.6337    0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5991   -0.7057    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1947    1.7023    0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1574    0.9332    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5098    1.4927    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -1.7348    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017   -0.0943    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -1.4261    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8316    2.7045    0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    1.9774    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197    2.3046    0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275   -2.7732    0.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -2.2490    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

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