A4157.cdx
  ChemDraw06111415292D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.6862    1.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975    0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113    0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7200   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0338    1.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950    1.8707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7088   -1.0458    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975   -1.8707    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7313   -1.8512    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  7  1  0      
  2  7  2  0      
  1  8  2  0      
  1  9  1  0      
 10 11  2  0      
 10 12  1  0      
  4 10  1  0      
  5 13  1  0      
M  CHG  2  10   1  12  -1
M  END
$$$$
