A4441.cdx
  ChemDraw06111413542D

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.1517    2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    3.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    3.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    4.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    4.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6067   -2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4550   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4550   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -4.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -2.3272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -4.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -4.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -0.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -2.9922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -4.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7584   -4.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101   -4.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101   -2.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7584   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -0.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7584   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9101   -2.9922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7584   -0.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9869    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  2  0      
  5  6  1  0      
  1  6  2  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
 10 11  2  0      
 11 12  1  0      
  7 12  2  0      
  1  7  1  0      
 13 14  1  0      
 14 15  1  1      
 16 17  1  0      
  4 17  1  0      
 18 19  2  0      
 21 22  1  6      
 22 23  1  0      
 22 24  1  0      
 22 25  1  0      
 26 27  2  0      
 29 30  1  6      
 31 32  1  0      
 32 33  2  0      
 33 34  1  0      
 34 35  2  0      
 35 36  1  0      
 31 36  2  0      
 29 31  1  0      
 37 38  1  0      
 30 37  1  0      
 28 29  1  0      
 26 28  1  0      
 21 26  1  0      
 20 21  1  0      
 18 20  1  0      
 14 18  1  0      
 13 39  1  0      
 39 40  1  0      
 39 41  2  0      
 15 16  1  0      
  6 42  1  0      
M  END
$$$$
