@<TRIPOS>MOLECULE
REAL300009850834
  38   39    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -0.1389     1.1363     3.2228 O.co2   
   2 C2            -1.2494     0.7068     2.9605 C.2     
   3 O3            -1.8731     0.0775     3.7981 O.co2   
   4 C4            -1.8511     0.9537     1.6011 C.3     
   5 N5            -0.9118     1.7263     0.7844 N.am    
   6 C6            -0.0039     1.0760     0.0182 C.2     
   7 C7             0.8794     1.7560    -0.7566 C.2     
   8 C8             0.8690     3.1506    -0.7710 C.2     
   9 C9            -0.0588     3.8266     0.0188 C.2     
  10 C10           -0.1016     5.2968     0.0305 C.2     
  11 O11            0.9304     5.9347     0.1191 O.2     
  12 N12           -1.2843     5.9372    -0.0570 N.am    
  13 C13           -2.5455     5.1835    -0.0567 C.3     
  14 C14           -3.3663     5.5867    -1.2804 C.3     
  15 C15           -3.5422     7.1069    -1.2955 C.3     
  16 C16           -2.1708     7.7798    -1.3885 C.3     
  17 B17           -2.3541     9.3383    -1.4380 Du      
  18 O18           -1.2170    10.1846    -1.5224 O.3     
  19 O19           -3.6570     9.9016    -1.3982 O.3     
  20 C20           -1.3366     7.4018    -0.1605 C.3     
  21 C21           -0.9618     3.0717     0.8112 C.2     
  22 O22           -1.7829     3.6391     1.5107 O.2     
  23 H23           -2.7810     1.5117     1.7113 H       
  24 H24           -2.0553    -0.0005     1.1154 H       
  25 H25            0.0148    -0.0039     0.0201 H       
  26 H26            1.5918     1.2161    -1.3626 H       
  27 H27            1.5689     3.6980    -1.3850 H       
  28 H28           -2.3328     4.1152    -0.0970 H       
  29 H29           -3.1078     5.4123     0.8486 H       
  30 H30           -4.3445     5.1077    -1.2377 H       
  31 H31           -2.8456     5.2717    -2.1846 H       
  32 H32           -4.0409     7.4239    -0.3796 H       
  33 H33           -4.1465     7.3938    -2.1561 H       
  34 H34           -1.6613     7.4441    -2.2918 H       
  35 H35           -1.4296    11.1276    -1.5476 H       
  36 H36           -3.6690    10.8678    -1.4336 H       
  37 H37           -1.7983     7.8153     0.7362 H       
  38 H38           -0.3265     7.7968    -0.2692 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4    5 1
   5    4   23 1
   6    4   24 1
   7    5   21 am
   8    5    6 1
   9    6    7 2
  10    6   25 1
  11    7    8 1
  12    7   26 1
  13    8    9 2
  14    8   27 1
  15    9   10 1
  16    9   21 1
  17   10   11 2
  18   10   12 am
  19   12   20 1
  20   12   13 1
  21   13   14 1
  22   13   28 1
  23   13   29 1
  24   14   15 1
  25   14   30 1
  26   14   31 1
  27   15   16 1
  28   15   32 1
  29   15   33 1
  30   16   17 1
  31   16   20 1
  32   16   34 1
  33   17   18 1
  34   17   19 1
  35   18   35 1
  36   19   36 1
  37   20   37 1
  38   20   38 1
  39   21   22 2