@<TRIPOS>MOLECULE
REAL300019630798
  42   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             1.4321    -3.1198    -2.2901 C.3     
   2 C2             1.2851    -1.6719    -1.8180 C.3     
   3 C3             1.4068    -1.6176    -0.2938 C.3     
   4 C4             1.1415    -0.2124     0.1816 C.2     
   5 C5             2.0614     0.8153     0.2496 C.2     
   6 C6             3.4839     0.7425    -0.1286 C.2     
   7 O7             3.9795    -0.3269    -0.4277 O.2     
   8 N8             4.2354     1.8612    -0.1431 N.am    
   9 C9             3.6135     3.1647     0.1026 C.3     
  10 C10            5.5966     1.7783    -0.3903 C.2     
  11 N11            6.2974     0.6703    -0.6233 N.2     
  12 N12            7.5250     1.0189    -0.8066 N.2     
  13 N13            7.6238     2.2970    -0.6904 N.2     
  14 N14            6.4604     2.7907    -0.4356 N.pl3   
  15 C15            1.3833     1.9501     0.7499 C.2     
  16 N16            0.1404     1.6165     0.9649 N.2     
  17 N17           -0.0353     0.2723     0.6179 N.pl3   
  18 C18           -1.2345    -0.4473     0.7089 C.ar    
  19 C19           -1.2370    -1.7310     1.2375 C.ar    
  20 C20           -2.4207    -2.4375     1.3262 C.ar    
  21 C21           -3.6021    -1.8675     0.8893 C.ar    
  22 C22           -3.6029    -0.5887     0.3626 C.ar    
  23 C23           -4.8929     0.0291    -0.1121 C.3     
  24 C24           -2.4235     0.1245     0.2757 C.ar    
  25 H25            1.3455    -3.1585    -3.3759 H       
  26 H26            2.4074    -3.5027    -1.9895 H       
  27 H27            0.6482    -3.7297    -1.8411 H       
  28 H28            0.3099    -1.2890    -2.1185 H       
  29 H29            2.0690    -1.0620    -2.2670 H       
  30 H30            2.4123    -1.9173     0.0014 H       
  31 H31            0.6797    -2.2957     0.1531 H       
  32 H32            3.5725     3.3512     1.1757 H       
  33 H33            4.2025     3.9449    -0.3796 H       
  34 H34            2.6028     3.1677    -0.3057 H       
  35 H35            1.8178     2.9235     0.9232 H       
  36 H36           -0.3144    -2.1769     1.5786 H       
  37 H37           -2.4234    -3.4361     1.7377 H       
  38 H38           -4.5263    -2.4219     0.9597 H       
  39 H39           -5.3642     0.5645     0.7121 H       
  40 H40           -4.6851     0.7244    -0.9254 H       
  41 H41           -5.5624    -0.7547    -0.4662 H       
  42 H42           -2.4254     1.1246    -0.1319 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   25 1
   3    1   26 1
   4    1   27 1
   5    2    3 1
   6    2   28 1
   7    2   29 1
   8    3    4 1
   9    3   30 1
  10    3   31 1
  11    4   17 1
  12    4    5 2
  13    5    6 1
  14    5   15 1
  15    6    7 2
  16    6    8 am
  17    8    9 1
  18    8   10 1
  19    9   32 1
  20    9   33 1
  21    9   34 1
  22   10   14 1
  23   10   11 2
  24   11   12 1
  25   12   13 2
  26   13   14 1
  27   15   16 2
  28   15   35 1
  29   16   17 1
  30   17   18 1
  31   18   24 ar
  32   18   19 ar
  33   19   20 ar
  34   19   36 1
  35   20   21 ar
  36   20   37 1
  37   21   22 ar
  38   21   38 1
  39   22   23 1
  40   22   24 ar
  41   23   39 1
  42   23   40 1
  43   23   41 1
  44   24   42 1
