@<TRIPOS>MOLECULE
REAL300018345593
  36   37    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             2.5425     4.3085     1.7825 O.co2   
   2 C2             1.4022     4.0915     1.4094 C.2     
   3 O3             0.4665     4.2779     2.1685 O.co2   
   4 C4             1.1493     3.5929     0.0099 C.3     
   5 N5            -0.1631     4.0669    -0.4491 N.3     
   6 C6            -0.0659     5.4187    -1.0159 C.3     
   7 C7            -1.4285     5.8701    -1.4748 C.ar    
   8 C8            -1.7672     5.7974    -2.8101 C.ar    
   9 C9            -3.0185     6.2107    -3.2328 C.ar    
  10 C10           -3.9360     6.6997    -2.3201 C.ar    
  11 C11           -3.6077     6.7774    -0.9820 C.ar    
  12 C12           -2.3512     6.3567    -0.5499 C.ar    
  13 B13           -1.9739     6.4365     0.9720 Du      
  14 O14           -0.6909     6.0126     1.4087 O.3     
  15 O15           -2.9157     6.9325     1.9119 O.3     
  16 C16            1.1701     2.0861     0.0021 C.ar    
  17 C17           -0.0167     1.3784     0.0096 C.ar    
  18 C18            0.0021    -0.0041     0.0020 C.ar    
  19 C19            1.2077    -0.6799    -0.0132 C.ar    
  20 C20            2.3961     0.0258    -0.0208 C.ar    
  21 C21            2.3786     1.4101    -0.0132 C.ar    
  22 F22            3.5396     2.1009    -0.0210 F       
  23 H23            1.9253     3.9705    -0.6560 H       
  24 H24           -0.8404     4.0360     0.2982 H       
  25 H25            0.3075     6.1053    -0.2561 H       
  26 H26            0.6183     5.4086    -1.8643 H       
  27 H27           -1.0546     5.4168    -3.5269 H       
  28 H28           -3.2796     6.1517    -4.2791 H       
  29 H29           -4.9108     7.0216    -2.6555 H       
  30 H30           -4.3248     7.1590    -0.2703 H       
  31 H31           -0.5513     6.0993     2.3616 H       
  32 H32           -2.5932     6.9436     2.8235 H       
  33 H33           -0.9593     1.9055     0.0170 H       
  34 H34           -0.9260    -0.5563     0.0083 H       
  35 H35            1.2212    -1.7598    -0.0187 H       
  36 H36            3.3381    -0.5024    -0.0330 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 1
   5    4   16 1
   6    4   23 1
   7    5    6 1
   8    5   24 1
   9    6    7 1
  10    6   25 1
  11    6   26 1
  12    7   12 ar
  13    7    8 ar
  14    8    9 ar
  15    8   27 1
  16    9   10 ar
  17    9   28 1
  18   10   11 ar
  19   10   29 1
  20   11   12 ar
  21   11   30 1
  22   12   13 1
  23   13   14 1
  24   13   15 1
  25   14   31 1
  26   15   32 1
  27   16   21 ar
  28   16   17 ar
  29   17   18 ar
  30   17   33 1
  31   18   19 ar
  32   18   34 1
  33   19   20 ar
  34   19   35 1
  35   20   21 ar
  36   20   36 1
  37   21   22 1