@<TRIPOS>MOLECULE
REAL300018648554
  45   47    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             1.9482    -1.2465    -3.3679 O.co2   
   2 C2             1.8599    -0.0368    -3.2443 C.2     
   3 O3             2.3362     0.6990    -4.0919 O.co2   
   4 C4             1.1619     0.5491    -2.0441 C.3     
   5 C5            -0.0338     1.3956    -2.4963 C.3     
   6 C6            -0.7493     1.9300    -1.2370 C.3     
   7 C7            -0.0173     1.4251     0.0099 C.3     
   8 C8            -0.7348     1.9203     1.2672 C.3     
   9 N9            -2.1133     1.4128     1.2764 N.4     
  10 H10           -2.6000     1.7464     0.4579 H       
  11 H11           -2.1002     0.4039     1.2720 H       
  12 C12           -2.8021     1.8883     2.4836 C.3     
  13 C13           -4.2163     1.3676     2.4930 C.ar    
  14 C14           -5.2280     2.1097     1.9096 C.ar    
  15 C15           -6.5237     1.6355     1.9111 C.ar    
  16 C16           -6.8144     0.4116     2.5115 C.ar    
  17 B17           -8.2880    -0.1301     2.5227 Du      
  18 O18           -8.5814    -1.3770     3.1355 O.3     
  19 O19           -9.3273     0.6268     1.9200 O.3     
  20 C20           -5.7923    -0.3293     3.1024 C.ar    
  21 C21           -4.4992     0.1518     3.0901 C.ar    
  22 C22            1.4204     1.9526    -0.0010 C.3     
  23 C23            2.1361     1.4268    -1.2496 C.3     
  24 O24            0.0021    -0.0041     0.0020 O.3     
  25 C25            0.6551    -0.5752    -1.1338 C.3     
  26 H26            0.3186     2.2349    -3.0959 H       
  27 H27           -0.7123     0.7823    -3.0892 H       
  28 H28           -1.7775     1.5682    -1.2278 H       
  29 H29           -0.7449     3.0200    -1.2461 H       
  30 H30           -0.2090     1.5599     2.1513 H       
  31 H31           -0.7489     3.0102     1.2720 H       
  32 H32           -2.2763     1.5278     3.3677 H       
  33 H33           -2.8162     2.9782     2.4884 H       
  34 H34           -5.0023     3.0599     1.4486 H       
  35 H35           -7.3119     2.2138     1.4521 H       
  36 H36           -9.5147    -1.6265     3.0924 H       
  37 H37          -10.1993     0.2126     1.9768 H       
  38 H38           -6.0120    -1.2783     3.5687 H       
  39 H39           -3.7064    -0.4214     3.5476 H       
  40 H40            1.4088     3.0424    -0.0192 H       
  41 H41            1.9424     1.6070     0.8913 H       
  42 H42            3.0020     0.8350    -0.9525 H       
  43 H43            2.4605     2.2642    -1.8673 H       
  44 H44            1.4973    -1.1826    -0.8022 H       
  45 H45           -0.0500    -1.1987    -1.6836 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   23 1
   5    4   25 1
   6    4    5 1
   7    5    6 1
   8    5   26 1
   9    5   27 1
  10    6    7 1
  11    6   28 1
  12    6   29 1
  13    7    8 1
  14    7   22 1
  15    7   24 1
  16    8    9 1
  17    8   30 1
  18    8   31 1
  19    9   10 1
  20    9   11 1
  21    9   12 1
  22   12   13 1
  23   12   32 1
  24   12   33 1
  25   13   21 ar
  26   13   14 ar
  27   14   15 ar
  28   14   34 1
  29   15   16 ar
  30   15   35 1
  31   16   17 1
  32   16   20 ar
  33   17   18 1
  34   17   19 1
  35   18   36 1
  36   19   37 1
  37   20   21 ar
  38   20   38 1
  39   21   39 1
  40   22   23 1
  41   22   40 1
  42   22   41 1
  43   23   42 1
  44   23   43 1
  45   24   25 1
  46   25   44 1
  47   25   45 1