B8161.sdf
  ChemDraw11131713562D

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M  CHG  8   1   1   2   1   3   1   4   1  21  -1  25  -1  29  -1  30  -1
M  CHG  3  62   1  76  -1  80  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  73  74  75  76
M  SBL   1  1  74
M  SMT   1 ^SO3-
M  SBV   1  74    0.1331    0.8122
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  77  78  79  80
M  SBL   2  1  78
M  SMT   2 ^SO3-
M  SBV   2  78    0.6648   -0.4885
M  END
$$$$
