@<TRIPOS>MOLECULE
REAL300019631110
  46   47    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             4.9228     5.2605    -1.2121 C.3     
   2 C2             4.3967     5.0330     0.2064 C.3     
   3 N3             5.4605     4.4618     1.0361 N.am    
   4 C4             6.3550     5.2716     1.6366 C.2     
   5 O5             6.2791     6.4754     1.4898 O.2     
   6 O6             7.3326     4.7467     2.3990 O.3     
   7 C7             8.2604     5.6785     3.0149 C.3     
   8 C8             7.4919     6.6327     3.9313 C.3     
   9 C9             9.2922     4.9029     3.8363 C.3     
  10 C10            8.9747     6.4817     1.9261 C.3     
  11 C11            3.2285     4.0819     0.1624 C.ar    
  12 C12            1.9369     4.5743     0.2218 C.ar    
  13 C13            0.8631     3.7091     0.1829 C.ar    
  14 C14            1.0820     2.3340     0.0829 C.ar    
  15 C15           -0.0636     1.4012     0.0407 C.2     
  16 O16           -1.1343     1.7319     0.5115 O.2     
  17 N17            0.0774     0.1860    -0.5248 N.am    
  18 C18            1.3292    -0.1676    -1.1987 C.3     
  19 C19           -0.9619    -0.7292    -0.4688 C.2     
  20 N20           -2.1478    -0.5524     0.1104 N.2     
  21 N21           -2.8282    -1.6341    -0.0607 N.2     
  22 N22           -2.1154    -2.4835    -0.7144 N.2     
  23 N23           -0.9677    -1.9593    -0.9788 N.pl3   
  24 C24            2.3879     1.8435     0.0287 C.ar    
  25 C25            3.4525     2.7201     0.0632 C.ar    
  26 H26            5.2442     4.3097    -1.6373 H       
  27 H27            4.1313     5.6855    -1.8294 H       
  28 H28            5.7677     5.9484    -1.1803 H       
  29 H29            4.0752     5.9838     0.6316 H       
  30 H30            5.5210     3.5008     1.1532 H       
  31 H31            6.9830     6.0604     4.7070 H       
  32 H32            8.1884     7.3321     4.3937 H       
  33 H33            6.7568     7.1852     3.3461 H       
  34 H34            9.8397     4.2231     3.1834 H       
  35 H35            9.9887     5.6024     4.2986 H       
  36 H36            8.7834     4.3306     4.6120 H       
  37 H37            8.2396     7.0342     1.3409 H       
  38 H38            9.6711     7.1812     2.3884 H       
  39 H39            9.5222     5.8019     1.2732 H       
  40 H40            1.7689     5.6384     0.2992 H       
  41 H41           -0.1446     4.0947     0.2301 H       
  42 H42            1.9714    -0.7147    -0.5085 H       
  43 H43            1.1116    -0.7921    -2.0652 H       
  44 H44            1.8360     0.7410    -1.5238 H       
  45 H45            2.5642     0.7805    -0.0442 H       
  46 H46            4.4633     2.3422     0.0176 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   11 1
   7    2   29 1
   8    3    4 am
   9    3   30 1
  10    4    5 2
  11    4    6 1
  12    6    7 1
  13    7    8 1
  14    7    9 1
  15    7   10 1
  16    8   31 1
  17    8   32 1
  18    8   33 1
  19    9   34 1
  20    9   35 1
  21    9   36 1
  22   10   37 1
  23   10   38 1
  24   10   39 1
  25   11   25 ar
  26   11   12 ar
  27   12   13 ar
  28   12   40 1
  29   13   14 ar
  30   13   41 1
  31   14   15 1
  32   14   24 ar
  33   15   16 2
  34   15   17 am
  35   17   18 1
  36   17   19 1
  37   18   42 1
  38   18   43 1
  39   18   44 1
  40   19   23 1
  41   19   20 2
  42   20   21 1
  43   21   22 2
  44   22   23 1
  45   24   25 ar
  46   24   45 1
  47   25   46 1