@<TRIPOS>MOLECULE
REAL300009850731
  39   40    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -5.0770     2.8968    -8.6446 O.co2   
   2 C2            -4.5208     3.0075    -7.5594 C.2     
   3 O3            -4.5461     4.0776    -6.9648 O.co2   
   4 C4            -3.8250     1.8594    -6.9722 C.2     
   5 C5            -3.7220     0.6040    -7.5351 C.2     
   6 C6            -2.9810    -0.1792    -6.6466 C.2     
   7 C7            -2.6590     0.6283    -5.5731 C.2     
   8 C8            -1.8850     0.2226    -4.3980 C.2     
   9 C9            -1.6375     1.1128    -3.4116 C.2     
  10 C10           -0.8632     0.7069    -2.2360 C.2     
  11 O11           -0.3661    -0.4028    -2.1882 O.2     
  12 N12           -0.7013     1.5627    -1.2074 N.am    
  13 C13           -0.0165     1.0847     0.0096 C.3     
  14 C14           -0.7121     1.5713     1.2939 C.3     
  15 C15           -2.2087     1.4949     1.1359 C.3     
  16 C16           -2.7302     2.8290     0.6107 C.3     
  17 B17           -4.2222     2.9967     1.0699 Du      
  18 O18           -5.2382     3.2390     0.1080 O.3     
  19 O19           -4.5555     2.9060     2.4473 O.3     
  20 C20           -2.6735     2.9680    -0.8526 C.3     
  21 C21           -1.2053     2.9111    -1.3418 C.3     
  22 O22           -3.1820     1.8487    -5.7877 O.3     
  23 H23           -4.1347     0.2875    -8.4816 H       
  24 H24           -2.7120    -1.2173    -6.7743 H       
  25 H25           -1.5119    -0.7879    -4.3197 H       
  26 H26           -2.0106     2.1233    -3.4900 H       
  27 H27           -0.0052    -0.0053     0.0044 H       
  28 H28            1.0108     1.4489     0.0038 H       
  29 H29           -0.4062     0.9435     2.1308 H       
  30 H30           -0.4221     2.6029     1.4934 H       
  31 H31           -2.6664     1.2803     2.1016 H       
  32 H32           -2.4600     0.7030     0.4303 H       
  33 H33           -2.1398     3.6290     1.0575 H       
  34 H34           -6.1240     3.3280     0.4854 H       
  35 H35           -5.4975     3.0224     2.6324 H       
  36 H36           -3.1133     3.9226    -1.1416 H       
  37 H37           -3.2392     2.1586    -1.3140 H       
  38 H38           -0.5964     3.5876    -0.7421 H       
  39 H39           -1.1598     3.2129    -2.3882 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   22 1
   5    4    5 2
   6    5    6 1
   7    5   23 1
   8    6    7 2
   9    6   24 1
  10    7    8 1
  11    7   22 1
  12    8    9 2
  13    8   25 1
  14    9   10 1
  15    9   26 1
  16   10   11 2
  17   10   12 am
  18   12   21 1
  19   12   13 1
  20   13   14 1
  21   13   27 1
  22   13   28 1
  23   14   15 1
  24   14   29 1
  25   14   30 1
  26   15   16 1
  27   15   31 1
  28   15   32 1
  29   16   17 1
  30   16   20 1
  31   16   33 1
  32   17   18 1
  33   17   19 1
  34   18   34 1
  35   19   35 1
  36   20   21 1
  37   20   36 1
  38   20   37 1
  39   21   38 1
  40   21   39 1