A4401.cdx
  ChemDraw06111413462D

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M  CHG  4  21   1  23  -1  27   1  29  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  21  22  23
M  SBL   1  1  23
M  SMT   1 NO2
M  SBV   1  23   -0.8264    0.2242
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  24  25  26
M  SBL   2  1  26
M  SMT   2 CO2H
M  SBV   2  26   -0.6073   -0.6036
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  27  28  29
M  SBL   3  1  29
M  SMT   3 ^NO2
M  SBV   3  29    0.2191   -0.8278
M  END
$$$$
