A4453.sdf
  ChemDraw02222011232D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -3.2306   -1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6130   -2.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305   -2.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6658   -1.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2834   -0.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0659   -1.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181   -0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332    0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155   -0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668   -0.1348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316    0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3860    1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1684    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865   -0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212   -1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2638   -1.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713   -0.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880    1.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2206    2.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642    2.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1818    1.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643    2.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1291    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5115    3.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7290    3.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -3.3501    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5609   -3.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1607   -3.8970    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9140    3.0788    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5609    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0376    3.8970    0.0000 O   0  5  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      
  5  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13  8  1  0      
 10 14  1  0      
 14 15  1  0      
 15 16  2  0      
 14 17  2  0      
 13 18  2  0      
 12 19  2  0      
 19 20  1  0      
 20 21  2  0      
 21 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 25  2  0      
 25 20  1  0      
  2 26  1  0      
 26 27  2  0      
 26 28  1  0      
 29 30  2  0      
 29 31  1  0      
 23 29  1  0      
M  CHG  4  26   1  28  -1  29   1  31  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  26  27  28
M  SBL   1  1  28
M  SMT   1 NO2
M  SBV   1  28    0.1654    0.8109
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  29  30  31
M  SBL   2  1  33
M  SMT   2 NO2
M  SBV   2  33   -0.7849   -0.2623
M  END
$$$$
