@<TRIPOS>MOLECULE
REAL300019630965
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             2.2225    -1.0093    -1.4694 C.3     
   2 C2             2.2054    -0.5585    -0.0074 C.3     
   3 N3             2.2333     0.9050     0.0527 N.pl3   
   4 C4             3.5155     1.6116     0.1053 C.3     
   5 C5             3.9351     1.7989     1.5647 C.3     
   6 C6             1.0440     1.6226     0.0598 C.ar    
   7 C7            -0.1759     0.9440     0.0095 C.ar    
   8 C8            -1.3501     1.6343    -0.0020 C.ar    
   9 C9            -1.3371     3.0384     0.0373 C.ar    
  10 C10           -2.5481     3.7667    -0.0311 C.2     
  11 C11           -2.4710     5.1451    -0.2071 C.2     
  12 C12           -3.6814     5.9790    -0.2578 C.2     
  13 O13           -4.0233     6.6151     0.7210 O.2     
  14 N14           -4.4119     6.0383    -1.3889 N.am    
  15 C15           -4.0686     5.1838    -2.5283 C.3     
  16 C16           -5.4878     6.9075    -1.4741 C.2     
  17 N17           -5.9198     7.7350    -0.5244 N.2     
  18 N18           -6.9369     8.3709    -0.9971 N.2     
  19 N19           -7.1655     7.9701    -2.1987 N.2     
  20 N20           -6.2955     7.0744    -2.5196 N.pl3   
  21 C21           -1.1279     5.7349    -0.3409 C.2     
  22 O22           -0.9588     6.7817    -0.9381 O.2     
  23 O23           -0.0886     5.0767     0.2206 O.3     
  24 C24           -0.1087     3.7260     0.1193 C.ar    
  25 C25            1.0759     3.0099     0.1173 C.ar    
  26 H26            3.1286    -0.6431    -1.9520 H       
  27 H27            2.2017    -2.0982    -1.5141 H       
  28 H28            1.3493    -0.6079    -1.9836 H       
  29 H29            3.0786    -0.9600     0.5068 H       
  30 H30            1.2993    -0.9248     0.4752 H       
  31 H31            4.2732     1.0290    -0.4186 H       
  32 H32            3.4129     2.5865    -0.3712 H       
  33 H33            4.0377     0.8240     2.0413 H       
  34 H34            4.8891     2.3247     1.6038 H       
  35 H35            3.1774     2.3816     2.0887 H       
  36 H36           -0.1880    -0.1354    -0.0250 H       
  37 H37           -2.2897     1.1029    -0.0373 H       
  38 H38           -3.5028     3.2685     0.0511 H       
  39 H39           -4.6412     4.2580    -2.4737 H       
  40 H40           -4.3057     5.7035    -3.4566 H       
  41 H41           -3.0033     4.9543    -2.5023 H       
  42 H42            2.0223     3.5284     0.1608 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   26 1
   3    1   27 1
   4    1   28 1
   5    2    3 1
   6    2   29 1
   7    2   30 1
   8    3    4 1
   9    3    6 1
  10    4    5 1
  11    4   31 1
  12    4   32 1
  13    5   33 1
  14    5   34 1
  15    5   35 1
  16    6   25 ar
  17    6    7 ar
  18    7    8 ar
  19    7   36 1
  20    8    9 ar
  21    8   37 1
  22    9   24 ar
  23    9   10 1
  24   10   11 2
  25   10   38 1
  26   11   12 1
  27   11   21 1
  28   12   13 2
  29   12   14 am
  30   14   15 1
  31   14   16 1
  32   15   39 1
  33   15   40 1
  34   15   41 1
  35   16   20 1
  36   16   17 2
  37   17   18 1
  38   18   19 2
  39   19   20 1
  40   21   22 2
  41   21   23 1
  42   23   24 1
  43   24   25 ar
  44   25   42 1