A4400.cdx
  ChemDraw06111413462D

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0299   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841   -1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439   -1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439    0.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    0.2061    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8859   -1.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5999   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5999   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8859    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3139   -1.4428    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8701    0.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0457   -0.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299   -3.0918    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3981   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8262   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439    1.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    2.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439    3.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    2.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    1.4428    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841    3.0918    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5402   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067   -1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3139   -1.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  7  1  1  1      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10 11  2  0      
 11 12  1  0      
 12 13  2  0      
 13 14  1  0      
 14 15  2  0      
 15 10  1  0      
 13 16  1  0      
  9 17  2  0      
  9 18  2  0      
  7 19  1  0      
  4 20  1  0      
  2 21  1  0      
 21 22  1  0      
 22 23  1  0      
  8 24  1  0      
 24 25  2  0      
 25 26  1  0      
 26 27  2  0      
 27 28  1  0      
 28 29  2  0      
 29 24  1  0      
 29 30  1  0      
 26 31  1  0      
 23 32  1  0      
 32 33  2  0      
 32 34  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  32  33  34
M  SBL   1  1  34
M  SMT   1 ^CO2H
M  SBV   1  34    0.7140    0.4122
M  END
$$$$
