B4978.sdf
  ChemDraw12232211412D

 43 39  0  0  0  0  0  0  0  0999 V2000
   -4.5300    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5300    1.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8155    0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010    1.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8155    2.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866    2.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432    1.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9576    2.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2444    0.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9576    3.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721    1.1371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -2.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -2.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030   -2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030   -1.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4384   -1.9117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7239   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2950   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7239   -0.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095   -2.7368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815    1.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5395    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2539    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960    2.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2539    2.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5395    0.4349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7240   -2.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950   -2.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0095   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660   -2.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -2.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4384   -1.9621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -1.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660   -3.1996    0.0000 N   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  8  1  0      
  8  5  1  0      
  9 10  1  0      
 10  7  1  0      
  2 11  1  0      
 10 12  2  0      
  7 13  1  1      
 15 16  1  0      
 16 14  1  0      
 16 17  2  0      
 19 20  1  0      
 20 18  1  0      
 18 21  1  0      
 20 22  2  0      
 18 23  1  1      
 25 26  1  0      
 26 24  1  0      
 27 28  1  0      
 28 25  1  0      
 29 30  1  0      
 30 27  1  0      
 26 31  2  0      
 30 32  2  0      
 27 33  1  1      
 35 36  1  0      
 36 34  1  0      
 37 38  1  0      
 38 35  1  0      
 39 40  1  0      
 40 37  1  0      
 34 41  1  0      
 40 42  2  0      
 37 43  1  1      
M  END
$$$$
