@<TRIPOS>MOLECULE
REAL300009850828
  44   46    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             7.1983     1.3943    -4.2430 O.co2   
   2 C2             7.3686     0.4303    -3.5162 C.2     
   3 O3             8.0322    -0.5160    -3.9043 O.co2   
   4 C4             6.7589     0.4085    -2.1382 C.3     
   5 C5             5.7154    -0.7197    -2.0200 C.3     
   6 C6             4.4225     0.0077    -1.7274 C.2     
   7 C7             3.1208    -0.6295    -1.5287 C.2     
   8 O8             2.9901    -1.8226    -1.7309 O.2     
   9 N9             2.0663     0.1045    -1.1216 N.am    
  10 C10            2.2413     1.5061    -0.7171 C.3     
  11 C11            1.6448     1.6938     0.6814 C.3     
  12 C12            0.1906     1.2171     0.6795 C.3     
  13 C13            0.1405    -0.2718     0.3289 C.3     
  14 B14           -1.3488    -0.7677     0.3602 Du      
  15 O15           -1.7614    -1.8298    -0.4873 O.3     
  16 O16           -2.2832    -0.1541     1.2359 O.3     
  17 C17            0.7200    -0.4818    -1.0736 C.3     
  18 N18            4.6474     1.2813    -1.6744 N.2     
  19 N19            5.9771     1.6317    -1.8990 N.pl3   
  20 C20            6.4850     2.9321    -1.8975 C.ar    
  21 C21            7.8371     3.1520    -2.1308 C.ar    
  22 C22            8.3350     4.4400    -2.1338 C.ar    
  23 C23            7.4917     5.5096    -1.8940 C.ar    
  24 C24            6.1465     5.2942    -1.6561 C.ar    
  25 C25            5.6406     4.0093    -1.6569 C.ar    
  26 H26            7.5332     0.2940    -1.3796 H       
  27 H27            5.9689    -1.3930    -1.2012 H       
  28 H28            5.6409    -1.2688    -2.9586 H       
  29 H29            3.3033     1.7508    -0.6972 H       
  30 H30            1.7295     2.1575    -1.4254 H       
  31 H31            1.6816     2.7485     0.9540 H       
  32 H32            2.2178     1.1110     1.4025 H       
  33 H33           -0.3763     1.7834    -0.0594 H       
  34 H34           -0.2438     1.3724     1.6671 H       
  35 H35            0.7272    -0.8362     1.0537 H       
  36 H36           -2.6951    -2.0647    -0.3973 H       
  37 H37           -3.1740    -0.5268     1.1842 H       
  38 H38            0.7781    -1.5487    -1.2889 H       
  39 H39            0.0819     0.0074    -1.8096 H       
  40 H40            8.4971     2.3168    -2.3137 H       
  41 H41            9.3850     4.6120    -2.3191 H       
  42 H42            7.8848     6.5156    -1.8921 H       
  43 H43            5.4909     6.1318    -1.4693 H       
  44 H44            4.5901     3.8417    -1.4704 H       
@<TRIPOS>BOND
   1    1    2 ar
   2    2    3 ar
   3    2    4 1
   4    4   19 1
   5    4    5 1
   6    4   26 1
   7    5    6 1
   8    5   27 1
   9    5   28 1
  10    6    7 1
  11    6   18 2
  12    7    8 2
  13    7    9 am
  14    9   17 1
  15    9   10 1
  16   10   11 1
  17   10   29 1
  18   10   30 1
  19   11   12 1
  20   11   31 1
  21   11   32 1
  22   12   13 1
  23   12   33 1
  24   12   34 1
  25   13   14 1
  26   13   17 1
  27   13   35 1
  28   14   15 1
  29   14   16 1
  30   15   36 1
  31   16   37 1
  32   17   38 1
  33   17   39 1
  34   18   19 1
  35   19   20 1
  36   20   25 ar
  37   20   21 ar
  38   21   22 ar
  39   21   40 1
  40   22   23 ar
  41   22   41 1
  42   23   24 ar
  43   23   42 1
  44   24   25 ar
  45   24   43 1
  46   25   44 1