A4452.cdx
  ChemDraw06111413562D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.1079    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8181   -0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098   -0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0912   -1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3893   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902    0.1874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -2.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1145    0.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063   -1.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927    0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6799   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902   -1.1725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893    0.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2303    0.9119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269    1.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825    2.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0678    1.6815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3752   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    0.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9221    0.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  2  7  1  0      
  4  8  2  0      
  1  9  2  0      
  5 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12  6  1  0      
 10 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 11  1  0      
 14 16  1  1      
 15 16  1  1      
 12 17  1  1      
 17 18  1  0      
 18 19  1  0      
 19 20  2  0      
 19 21  1  0      
  3 22  1  0      
 11 23  1  6      
 23 24  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  22
M  SBL   1  1  25
M  SMT   1 ^Me
M  SBV   1  25    0.5654    0.3341
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2 OMe
M  SBV   2  26   -0.3806   -0.5352
M  END
$$$$
