A8168.cdx
  ChemDraw02281419032D

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  18  19  20
M  SBL   1  1  19
M  SMT   1 ^OEt
M  SBV   1  19    0.8236    0.0488
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  22
M  SMT   2 CN
M  SBV   2  22   -0.8236   -0.0488
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  23  24  25
M  SBL   3  1  24
M  SMT   3 OEt
M  SBV   3  24   -0.3695   -0.7376
M  END
$$$$
