@<TRIPOS>MOLECULE
REAL300018087210
  43   45    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -4.6534     9.2998     9.7380 O.co2   
   2 C2            -5.0799     8.2990     9.1771 C.2     
   3 O3            -5.8200     7.5301     9.7764 O.co2   
   4 C4            -4.7035     8.0207     7.7850 C.2     
   5 C5            -3.8824     8.8411     7.0673 C.2     
   6 S6            -3.6778     8.1904     5.4992 S.3     
   7 C7            -4.7225     6.8335     5.9038 C.2     
   8 C8            -5.0764     5.7272     4.9877 C.ar    
   9 C9            -5.9177     4.7018     5.4200 C.ar    
  10 C10           -6.2443     3.6729     4.5605 C.ar    
  11 C11           -5.7441     3.6598     3.2709 C.ar    
  12 C12           -4.9046     4.6709     2.8379 C.ar    
  13 C13           -4.3591     4.6455     1.4333 C.3     
  14 N14           -3.0818     3.9203     1.4172 N.4     
  15 H15           -3.2276     2.9750     1.7385 H       
  16 H16           -2.4237     4.3844     2.0252 H       
  17 C17           -2.5500     3.8955     0.0480 C.3     
  18 C18           -1.2396     3.1515     0.0314 C.ar    
  19 C19           -0.0492     3.8486     0.0242 C.ar    
  20 C20            1.1549     3.1666     0.0085 C.ar    
  21 C21            1.1722     1.7833     0.0004 C.ar    
  22 C22           -0.0126     1.0758     0.0080 C.ar    
  23 C23           -1.2281     1.7575     0.0174 C.ar    
  24 B24           -2.5796     0.9584     0.0194 Du      
  25 O25           -2.5648    -0.4615     0.0116 O.3     
  26 O26           -3.8166     1.6556     0.0291 O.3     
  27 C27           -4.5705     5.7052     3.6875 C.ar    
  28 N28           -5.1394     6.9543     7.1259 N.2     
  29 H29           -3.4339     9.7538     7.4310 H       
  30 H30           -6.3127     4.7134     6.4251 H       
  31 H31           -6.8958     2.8786     4.8938 H       
  32 H32           -6.0065     2.8548     2.6005 H       
  33 H33           -4.2016     5.6667     1.0862 H       
  34 H34           -5.0700     4.1441     0.7765 H       
  35 H35           -2.3925     4.9167    -0.2991 H       
  36 H36           -3.2609     3.3941    -0.6088 H       
  37 H37           -0.0569     4.9286     0.0312 H       
  38 H38            2.0845     3.7163     0.0030 H       
  39 H39            2.1147     1.2561    -0.0114 H       
  40 H40            0.0021    -0.0041     0.0020 H       
  41 H41           -3.4441    -0.8640     0.0135 H       
  42 H42           -4.5930     1.0791     0.0296 H       
  43 H43           -3.9190     6.4963     3.3468 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   28 1
   5    4    5 2
   6    5    6 1
   7    5   29 1
   8    6    7 1
   9    7    8 1
  10    7   28 2
  11    8   27 ar
  12    8    9 ar
  13    9   10 ar
  14    9   30 1
  15   10   11 ar
  16   10   31 1
  17   11   12 ar
  18   11   32 1
  19   12   13 1
  20   12   27 ar
  21   13   14 1
  22   13   33 1
  23   13   34 1
  24   14   15 1
  25   14   16 1
  26   14   17 1
  27   17   18 1
  28   17   35 1
  29   17   36 1
  30   18   23 ar
  31   18   19 ar
  32   19   20 ar
  33   19   37 1
  34   20   21 ar
  35   20   38 1
  36   21   22 ar
  37   21   39 1
  38   22   23 ar
  39   22   40 1
  40   23   24 1
  41   24   25 1
  42   24   26 1
  43   25   41 1
  44   26   42 1
  45   27   43 1