@<TRIPOS>MOLECULE
REAL300018556931
  44   45    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             5.8763     4.2123    -7.5510 C.3     
   2 O2             6.0271     5.3464    -6.6947 O.3     
   3 C3             5.5974     5.2132    -5.4154 C.ar    
   4 C4             5.0412     4.0169    -4.9881 C.ar    
   5 C5             4.6042     3.8828    -3.6852 C.ar    
   6 C6             4.7173     4.9386    -2.7949 C.ar    
   7 C7             4.2360     4.7776    -1.3760 C.3     
   8 H8             4.0692     5.7605    -0.9352 H       
   9 C9             5.2909     4.0259    -0.5618 C.3     
  10 N10            2.9787     4.0178    -1.3685 N.4     
  11 H11            3.1503     3.0805    -1.7002 H       
  12 H12            2.3085     4.4706    -1.9717 H       
  13 C13            2.4475     3.9636    -0.0000 C.3     
  14 C14            1.1577     3.1841     0.0076 C.ar    
  15 C15           -0.0512     3.8486     0.0223 C.ar    
  16 C16           -1.2363     3.1341     0.0302 C.ar    
  17 C17           -1.2162     1.7508     0.0173 C.ar    
  18 C18           -0.0126     1.0758     0.0080 C.ar    
  19 C19            1.1840     1.7903     0.0004 C.ar    
  20 B20            2.5566     1.0283    -0.0168 Du      
  21 O21            2.5804    -0.3915    -0.0246 O.3     
  22 O22            3.7742     1.7588    -0.0245 O.3     
  23 C23            5.2623     6.1364    -3.2021 C.ar    
  24 C24            5.7140     6.2853    -4.5173 C.ar    
  25 C25            6.3024     7.5601    -4.9582 C.2     
  26 O26            6.4022     8.4921    -4.1720 O.co2   
  27 O27            6.6919     7.6878    -6.1109 O.co2   
  28 H28            6.4342     3.3706    -7.1408 H       
  29 H29            4.8211     3.9486    -7.6224 H       
  30 H30            6.2586     4.4528    -8.5431 H       
  31 H31            4.9494     3.1890    -5.6756 H       
  32 H32            4.1718     2.9489    -3.3578 H       
  33 H33            6.2238     4.5897    -0.5673 H       
  34 H34            4.9428     3.9095     0.4646 H       
  35 H35            5.4578     3.0431    -1.0025 H       
  36 H36            2.2622     4.9762     0.3582 H       
  37 H37            3.1715     3.4744     0.6516 H       
  38 H38           -0.0727     4.9283     0.0279 H       
  39 H39           -2.1805     3.6583     0.0420 H       
  40 H40           -2.1441     1.1981     0.0191 H       
  41 H41            0.0021    -0.0041     0.0020 H       
  42 H42            3.4702    -0.7699    -0.0351 H       
  43 H43            4.5659     1.2036    -0.0350 H       
  44 H44            5.3442     6.9578    -2.5058 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   28 1
   3    1   29 1
   4    1   30 1
   5    2    3 1
   6    3   24 ar
   7    3    4 ar
   8    4    5 ar
   9    4   31 1
  10    5    6 ar
  11    5   32 1
  12    6    7 1
  13    6   23 ar
  14    7    8 1
  15    7    9 1
  16    7   10 1
  17    9   33 1
  18    9   34 1
  19    9   35 1
  20   10   11 1
  21   10   12 1
  22   10   13 1
  23   13   14 1
  24   13   36 1
  25   13   37 1
  26   14   19 ar
  27   14   15 ar
  28   15   16 ar
  29   15   38 1
  30   16   17 ar
  31   16   39 1
  32   17   18 ar
  33   17   40 1
  34   18   19 ar
  35   18   41 1
  36   19   20 1
  37   20   21 1
  38   20   22 1
  39   21   42 1
  40   22   43 1
  41   23   24 ar
  42   23   44 1
  43   24   25 1
  44   25   26 ar
  45   25   27 ar