@<TRIPOS>MOLECULE
REAL300009850667
  38   39    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1            -4.9474     5.0319     1.8534 O.co2   
   2 C2            -4.8869     5.9169     2.6898 C.2     
   3 O3            -5.6003     5.8721     3.6775 O.co2   
   4 C4            -3.9302     7.0662     2.5028 C.3     
   5 N5            -3.1932     6.8891     1.2492 N.am    
   6 C6            -3.6929     7.4099     0.1032 C.2     
   7 C7            -3.0426     7.2623    -1.0793 C.2     
   8 C8            -1.8306     6.5741    -1.1306 C.2     
   9 C9            -1.3105     6.0352     0.0444 C.2     
  10 C10           -0.0380     5.2977     0.0304 C.2     
  11 O11           -0.0373     4.0843     0.1175 O.2     
  12 N12            1.1271     5.9662    -0.0788 N.am    
  13 C13            2.3985     5.2397    -0.2001 C.3     
  14 C14            3.3606     5.7374     0.8771 C.3     
  15 C15            3.4934     7.2586     0.7759 C.3     
  16 B16            4.5066     7.7685     1.8614 Du      
  17 O17            5.5710     6.9310     2.2882 O.3     
  18 O18            4.3587     9.0671     2.4164 O.3     
  19 C19            2.1274     7.9082     1.0085 C.3     
  20 C20            1.1507     7.4352    -0.0728 C.3     
  21 C21           -2.0300     6.2108     1.2547 C.2     
  22 O22           -1.5963     5.7494     2.2961 O.2     
  23 H23           -3.2282     7.0938     3.3362 H       
  24 H24           -4.4886     8.0016     2.4670 H       
  25 H25           -4.6285     7.9488     0.1298 H       
  26 H26           -3.4626     7.6822    -1.9814 H       
  27 H27           -1.3057     6.4567    -2.0672 H       
  28 H28            2.2234     4.1722    -0.0668 H       
  29 H29            2.8306     5.4212    -1.1842 H       
  30 H30            4.3380     5.2765     0.7345 H       
  31 H31            2.9719     5.4706     1.8599 H       
  32 H32            3.8585     7.5260    -0.2157 H       
  33 H33            6.1419     7.3311     2.9583 H       
  34 H34            5.0292     9.2917     3.0761 H       
  35 H35            2.2271     8.9926     0.9595 H       
  36 H36            1.7500     7.6216     1.9901 H       
  37 H37            1.4790     7.7994    -1.0463 H       
  38 H38            0.1522     7.8158     0.1420 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   19 1
  29   15   32 1
  30   16   17 1
  31   16   18 1
  32   17   33 1
  33   18   34 1
  34   19   20 1
  35   19   35 1
  36   19   36 1
  37   20   37 1
  38   20   38 1
  39   21   22 2