LDPC0129.sdf
  ChemDraw04242410382D

 44 49  0  0  1  0  0  0  0  0999 V2000
   -3.1646   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788   -0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788   -1.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646   -1.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499   -1.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499   -0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353   -1.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210   -1.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210   -0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068    0.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353    0.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777    0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646    0.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499    0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499   -2.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646   -2.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068    1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068   -0.9176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913    1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4883    1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0717    1.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0818    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4984    3.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    1.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120    3.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8788    2.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499   -2.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353   -2.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499   -3.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210   -2.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068   -2.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -2.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8902   -1.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3469   -1.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777   -1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8902   -2.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 43 44  1  0      
 42 43  2  0      
 41 43  1  0      
 15 41  1  6      
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  5  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10  6  1  0      
  9 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 10  1  0      
 11 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 12  1  0      
  1 18  2  0      
  6 19  1  1      
  5 20  1  1      
  4 21  1  1      
  7 20  1  1      
 12 22  1  1      
 11 23  1  1      
 17 24  1  0      
 24 25  1  0      
 24 26  1  6      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 31  1  0      
 31 25  1  0      
 25 27  1  1      
 28 32  2  0      
 30 33  1  0      
 29 34  1  0      
 21 35  1  0      
 35 36  1  0      
 35 37  2  0      
 36 38  1  0      
 38 39  1  0      
 39 40  3  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  41  42  43  44
M  SBL   1  1   4
M  SMT   1 OAc
M  SBV   1   4   -0.4125    0.7142
M  END
$$$$
