@<TRIPOS>MOLECULE
REAL300009850759
  39   40    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             8.1016     6.3177     3.5446 O.co2   
   2 C2             8.3985     5.7019     2.5270 C.2     
   3 O3             9.5524     5.7212     2.1134 O.co2   
   4 C4             7.4135     4.9719     1.8327 C.2     
   5 C5             6.1340     4.9505     2.2913 C.2     
   6 C6             5.1447     4.2174     1.5941 C.2     
   7 C7             3.8282     4.1203     1.9462 C.2     
   8 C8             3.2107     3.2925     0.9777 C.2     
   9 C9             1.7915     2.8927     0.9341 C.2     
  10 O10            0.9220     3.7106     1.1653 O.2     
  11 N11            1.4585     1.6207     0.6380 N.am    
  12 C12            2.4923     0.6409     0.2774 C.3     
  13 C13            2.3492    -0.5840     1.1862 C.3     
  14 C14            0.9179    -1.1179     1.0946 C.3     
  15 C15           -0.0608    -0.0435     1.5743 C.3     
  16 C16           -1.4887    -0.5896     1.5132 C.3     
  17 B17           -2.4792     0.4663     2.1206 Du      
  18 O18           -3.8164     0.5393     1.6484 O.3     
  19 O19           -2.0379     1.3484     3.1422 O.3     
  20 C20            0.0550     1.1875     0.6698 C.3     
  21 C21            4.1958     2.9384     0.0796 C.2     
  22 O22            5.3429     3.5021     0.4674 O.3     
  23 H23            7.6750     4.4294     0.9363 H       
  24 H24            5.8724     5.4930     3.1878 H       
  25 H25            3.3521     4.5825     2.7983 H       
  26 H26            3.4789     1.0837     0.4136 H       
  27 H27            2.3670     0.3406    -0.7629 H       
  28 H28            2.5664    -0.3003     2.2160 H       
  29 H29            3.0472    -1.3577     0.8666 H       
  30 H30            0.8200    -2.0042     1.7215 H       
  31 H31            0.6931    -1.3781     0.0602 H       
  32 H32            0.1786     0.2353     2.6005 H       
  33 H33           -1.7586    -0.7860     0.4756 H       
  34 H34           -1.5485    -1.5152     2.0857 H       
  35 H35           -4.3500     1.2194     2.0818 H       
  36 H36           -2.7177     1.9619     3.4529 H       
  37 H37           -0.2716     0.9322    -0.3383 H       
  38 H38           -0.5666     1.9910     1.0649 H       
  39 H39            4.0622     2.3117    -0.7897 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 2
   5    4   23 1
   6    5    6 1
   7    5   24 1
   8    6   22 1
   9    6    7 2
  10    7    8 1
  11    7   25 1
  12    8    9 1
  13    8   21 2
  14    9   10 2
  15    9   11 am
  16   11   20 1
  17   11   12 1
  18   12   13 1
  19   12   26 1
  20   12   27 1
  21   13   14 1
  22   13   28 1
  23   13   29 1
  24   14   15 1
  25   14   30 1
  26   14   31 1
  27   15   16 1
  28   15   20 1
  29   15   32 1
  30   16   17 1
  31   16   33 1
  32   16   34 1
  33   17   18 1
  34   17   19 1
  35   18   35 1
  36   19   36 1
  37   20   37 1
  38   20   38 1
  39   21   22 1
  40   21   39 1