@<TRIPOS>MOLECULE
REAL300009850737
  44   46    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             2.4768    -2.9574     3.7351 O.co2   
   2 C2             2.4930    -1.9825     4.4671 C.2     
   3 O3             2.3928    -2.1246     5.6739 O.co2   
   4 C4             2.6369    -0.6019     3.8804 C.3     
   5 C5             1.3739     0.2402     4.1475 C.3     
   6 C6             0.8485     0.5590     2.7660 C.2     
   7 C7            -0.3515     1.3451     2.4790 C.2     
   8 O8            -1.0166     1.7962     3.3931 O.2     
   9 N9            -0.7205     1.5697     1.2023 N.am    
  10 C10           -0.0127     1.0858     0.0080 C.3     
  11 C11           -0.7794     1.6071    -1.2257 C.3     
  12 C12           -1.5562     2.8264    -0.6624 C.3     
  13 C13           -2.8249     3.0916    -1.4755 C.3     
  14 B14           -3.5138     4.4037    -0.9574 Du      
  15 O15           -4.2698     5.2088    -1.8500 O.3     
  16 O16           -3.3809     4.7855     0.4038 O.3     
  17 C17           -1.9033     2.3406     0.7670 C.3     
  18 N18            1.6282     0.0333     1.8767 N.2     
  19 N19            2.7063    -0.6685     2.4122 N.pl3   
  20 C20            3.6920    -1.3276     1.6755 C.ar    
  21 C21            4.7236    -1.9907     2.3292 C.ar    
  22 C22            5.6947    -2.6449     1.5972 C.ar    
  23 C23            5.6467    -2.6329     0.2151 C.ar    
  24 C24            4.6243    -1.9699    -0.4389 C.ar    
  25 C25            3.6473    -1.3173     0.2866 C.ar    
  26 H26            3.5195    -0.1054     4.2836 H       
  27 H27            1.6286     1.1563     4.6803 H       
  28 H28            0.6422    -0.3396     4.7102 H       
  29 H29            0.0021    -0.0041     0.0020 H       
  30 H30            1.0072     1.4703     0.0003 H       
  31 H31           -0.0863     1.9189    -2.0071 H       
  32 H32           -1.4686     0.8500    -1.5997 H       
  33 H33           -0.9226     3.7127    -0.6308 H       
  34 H34           -2.5643     3.2090    -2.5274 H       
  35 H35           -3.5109     2.2521    -1.3626 H       
  36 H36           -4.6553     5.9952    -1.4400 H       
  37 H37           -3.8395     5.6067     0.6286 H       
  38 H38           -2.0640     3.1920     1.4284 H       
  39 H39           -2.7881     1.7044     0.7471 H       
  40 H40            4.7640    -1.9970     3.4084 H       
  41 H41            6.4949    -3.1633     2.1046 H       
  42 H42            6.4097    -3.1422    -0.3549 H       
  43 H43            4.5901    -1.9623    -1.5183 H       
  44 H44            2.8495    -0.7991    -0.2248 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   19 1
   5    4    5 1
   6    4   26 1
   7    5    6 1
   8    5   27 1
   9    5   28 1
  10    6    7 1
  11    6   18 2
  12    7    8 2
  13    7    9 am
  14    9   17 1
  15    9   10 1
  16   10   11 1
  17   10   29 1
  18   10   30 1
  19   11   12 1
  20   11   31 1
  21   11   32 1
  22   12   13 1
  23   12   17 1
  24   12   33 1
  25   13   14 1
  26   13   34 1
  27   13   35 1
  28   14   15 1
  29   14   16 1
  30   15   36 1
  31   16   37 1
  32   17   38 1
  33   17   39 1
  34   18   19 1
  35   19   20 1
  36   20   25 ar
  37   20   21 ar
  38   21   22 ar
  39   21   40 1
  40   22   23 ar
  41   22   41 1
  42   23   24 ar
  43   23   42 1
  44   24   25 ar
  45   24   43 1
  46   25   44 1