@<TRIPOS>MOLECULE
REAL300019721267
  46   48    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1            -9.6688     1.5417    -2.9637 C.3     
   2 C2            -8.7789     2.5128    -2.1854 C.3     
   3 C3            -8.5132     3.7556    -3.0373 C.3     
   4 C4            -9.4825     2.9231    -0.8902 C.3     
   5 C5            -8.5433     3.7942    -0.0535 C.3     
   6 N6            -7.3870     2.9998     0.3686 N.am    
   7 C7            -6.2207     3.6093     0.6593 C.2     
   8 O8            -6.1283     4.8154     0.5715 O.2     
   9 C9            -5.0312     2.7922     1.0935 C.3     
  10 C10           -3.8445     3.7205     1.3598 C.3     
  11 C11           -2.6550     2.9034     1.7940 C.ar    
  12 C12           -2.3906     2.7233     3.1370 C.ar    
  13 C13           -1.2975     1.9729     3.5337 C.ar    
  14 C14           -0.4631     1.3992     2.5907 C.ar    
  15 C15           -0.7187     1.5720     1.2452 C.ar    
  16 C16           -1.8186     2.3277     0.8434 C.ar    
  17 B17           -1.8228     2.3283    -0.7269 Du      
  18 O18           -2.7666     2.9746    -1.5683 O.3     
  19 O19           -0.7041     1.5591    -1.1466 O.3     
  20 C20           -0.0127     1.0858     0.0080 C.3     
  21 C21           -9.2766     4.2992     1.1624 C.2     
  22 N22           -9.5903     3.6000     2.2384 N.2     
  23 N23          -10.2086     4.3882     3.0501 N.pl3   
  24 N24          -10.2983     5.5546     2.5116 N.2     
  25 N25           -9.7334     5.5240     1.3529 N.2     
  26 H26          -10.6149     2.0276    -3.2024 H       
  27 H27           -9.1675     1.2493    -3.8864 H       
  28 H28           -9.8581     0.6563    -2.3568 H       
  29 H29           -7.8328     2.0269    -1.9466 H       
  30 H30           -8.0119     3.4632    -3.9599 H       
  31 H31           -9.4592     4.2415    -3.2760 H       
  32 H32           -7.8791     4.4474    -2.4828 H       
  33 H33           -9.7512     2.0311    -0.3244 H       
  34 H34          -10.3842     3.4869    -1.1295 H       
  35 H35           -8.2042     4.6405    -0.6508 H       
  36 H36           -7.4609     2.0352     0.4388 H       
  37 H37           -4.7696     2.0848     0.3066 H       
  38 H38           -5.2778     2.2472     2.0047 H       
  39 H39           -4.1061     4.4279     2.1467 H       
  40 H40           -3.5979     4.2655     0.4486 H       
  41 H41           -3.0375     3.1681     3.8787 H       
  42 H42           -1.0943     1.8346     4.5854 H       
  43 H43            0.3881     0.8149     2.9078 H       
  44 H44           -2.5970     2.8565    -2.5130 H       
  45 H45            0.0021    -0.0041     0.0020 H       
  46 H46            1.0097     1.4636     0.0003 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    4 1
   7    2   29 1
   8    3   30 1
   9    3   31 1
  10    3   32 1
  11    4    5 1
  12    4   33 1
  13    4   34 1
  14    5    6 1
  15    5   21 1
  16    5   35 1
  17    6    7 am
  18    6   36 1
  19    7    8 2
  20    7    9 1
  21    9   10 1
  22    9   37 1
  23    9   38 1
  24   10   11 1
  25   10   39 1
  26   10   40 1
  27   11   16 ar
  28   11   12 ar
  29   12   13 ar
  30   12   41 1
  31   13   14 ar
  32   13   42 1
  33   14   15 ar
  34   14   43 1
  35   15   20 1
  36   15   16 ar
  37   16   17 1
  38   17   18 1
  39   17   19 1
  40   18   44 1
  41   19   20 1
  42   20   45 1
  43   20   46 1
  44   21   25 1
  45   21   22 2
  46   22   23 1
  47   23   24 1
  48   24   25 2