@<TRIPOS>MOLECULE
REAL300009850709
  39   41    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             8.1036    13.3121     1.3488 O.co2   
   2 C2             8.7366    12.4369     0.7689 C.2     
   3 O3             9.9001    12.6381     0.4392 O.co2   
   4 C4             8.1268    11.1998     0.4812 C.2     
   5 C5             6.8366    10.9766     0.8468 C.2     
   6 C6             6.2242     9.7342     0.5579 C.2     
   7 C7             4.9405     9.3864     0.8705 C.2     
   8 C8             4.7532     8.0648     0.3981 C.2     
   9 C9             3.5247     7.2557     0.5039 C.2     
  10 O10            2.5371     7.7174     1.0424 O.2     
  11 N11            3.4968     6.0045     0.0037 N.am    
  12 C12            2.3041     5.2790     0.0044 C.ar    
  13 C13            2.3376     3.9118     0.1782 C.ar    
  14 C14            1.1380     3.1846     0.1795 C.ar    
  15 C15            1.1376     1.7881     0.3563 C.ar    
  16 C16           -0.0347     1.1042     0.3547 C.ar    
  17 C17           -1.2574     1.7714     0.1727 C.ar    
  18 B18           -2.5975     0.9535     0.1694 Du      
  19 O19           -2.5702    -0.4548     0.3499 O.3     
  20 O20           -3.8369     1.6218    -0.0140 O.3     
  21 C21           -1.2912     3.1448     0.0012 C.ar    
  22 C22           -0.0917     3.8699     0.0002 C.ar    
  23 C23           -0.0893     5.2666    -0.1756 C.ar    
  24 C24            1.0862     5.9477    -0.1725 C.ar    
  25 C25            5.9477     7.6809    -0.1753 C.2     
  26 O26            6.8103     8.6955    -0.0729 O.3     
  27 H27            8.6844    10.4288    -0.0297 H       
  28 H28            6.2790    11.7476     1.3577 H       
  29 H29            4.2111     9.9997     1.3786 H       
  30 H30            4.3054     5.6081    -0.3568 H       
  31 H31            3.2811     3.4040     0.3136 H       
  32 H32            2.0701     1.2609     0.4936 H       
  33 H33           -0.0271     0.0328     0.4905 H       
  34 H34           -3.4431    -0.8705     0.3329 H       
  35 H35           -4.6057     1.0355    -0.0011 H       
  36 H36           -2.2344     3.6531    -0.1345 H       
  37 H37           -1.0206     5.7959    -0.3131 H       
  38 H38            1.0815     7.0192    -0.3078 H       
  39 H39            6.1501     6.7232    -0.6317 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 2
   5    4   27 1
   6    5    6 1
   7    5   28 1
   8    6   26 1
   9    6    7 2
  10    7    8 1
  11    7   29 1
  12    8    9 1
  13    8   25 2
  14    9   10 2
  15    9   11 am
  16   11   12 1
  17   11   30 1
  18   12   24 ar
  19   12   13 ar
  20   13   14 ar
  21   13   31 1
  22   14   22 ar
  23   14   15 ar
  24   15   16 ar
  25   15   32 1
  26   16   17 ar
  27   16   33 1
  28   17   18 1
  29   17   21 ar
  30   18   19 1
  31   18   20 1
  32   19   34 1
  33   20   35 1
  34   21   22 ar
  35   21   36 1
  36   22   23 ar
  37   23   24 ar
  38   23   37 1
  39   24   38 1
  40   25   26 1
  41   25   39 1