@<TRIPOS>MOLECULE
REAL300018010668
  43   44    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             0.4618     3.0769     6.9702 C.3     
   2 C2            -0.4054     2.6175     5.8265 C.ar    
   3 C3             0.1740     2.0800     4.6924 C.ar    
   4 C4            -0.6215     1.6585     3.6433 C.ar    
   5 C5             0.0102     1.0729     2.4067 C.3     
   6 N6            -0.7003     1.5596     1.2166 N.4     
   7 H7            -0.7140     2.5685     1.2222 H       
   8 H8            -1.6469     1.2103     1.2238 H       
   9 C9            -0.0127     1.0858     0.0080 C.3     
  10 C10           -0.7416     1.5850    -1.2129 C.ar    
  11 C11           -1.6032     0.7496    -1.8931 C.ar    
  12 C12           -2.2739     1.2070    -3.0139 C.ar    
  13 C13           -2.0840     2.5031    -3.4590 C.ar    
  14 C14           -1.2241     3.3473    -2.7865 C.ar    
  15 C15           -0.5508     2.8938    -1.6536 C.ar    
  16 B16            0.4239     3.8514    -0.8803 Du      
  17 O17            1.1130     3.3848     0.2702 O.3     
  18 O18            0.6163     5.1840    -1.3315 O.3     
  19 C19           -0.0752    -0.4306     2.4630 C.2     
  20 O20            0.8234    -1.0733     2.9787 O.co2   
  21 O21           -1.0428    -1.0043     1.9927 O.co2   
  22 C22           -1.9960     1.7794     3.7262 C.ar    
  23 C23           -2.5757     2.3121     4.8625 C.ar    
  24 C24           -4.0745     2.4387     4.9553 C.3     
  25 C25           -1.7802     2.7332     5.9118 C.ar    
  26 H26            0.7242     4.1254     6.8288 H       
  27 H27           -0.0822     2.9618     7.9077 H       
  28 H28            1.3706     2.4759     7.0013 H       
  29 H29            1.2482     1.9896     4.6258 H       
  30 H30            1.0560     1.3758     2.3547 H       
  31 H31            0.0021    -0.0041     0.0020 H       
  32 H32            1.0099     1.4631     0.0003 H       
  33 H33           -1.7548    -0.2633    -1.5502 H       
  34 H34           -2.9477     0.5497    -3.5432 H       
  35 H35           -2.6094     2.8547    -4.3347 H       
  36 H36           -1.0768     4.3589    -3.1347 H       
  37 H37            1.6896     4.0453     0.6781 H       
  38 H38            1.2337     5.6966    -0.7920 H       
  39 H39           -2.6172     1.4542     2.9048 H       
  40 H40           -4.3824     3.4071     4.5608 H       
  41 H41           -4.5428     1.6442     4.3744 H       
  42 H42           -4.3822     2.3565     5.9977 H       
  43 H43           -2.2329     3.1528     6.7980 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   26 1
   3    1   27 1
   4    1   28 1
   5    2   25 ar
   6    2    3 ar
   7    3    4 ar
   8    3   29 1
   9    4    5 1
  10    4   22 ar
  11    5    6 1
  12    5   19 1
  13    5   30 1
  14    6    7 1
  15    6    8 1
  16    6    9 1
  17    9   10 1
  18    9   31 1
  19    9   32 1
  20   10   15 ar
  21   10   11 ar
  22   11   12 ar
  23   11   33 1
  24   12   13 ar
  25   12   34 1
  26   13   14 ar
  27   13   35 1
  28   14   15 ar
  29   14   36 1
  30   15   16 1
  31   16   17 1
  32   16   18 1
  33   17   37 1
  34   18   38 1
  35   19   20 ar
  36   19   21 ar
  37   22   23 ar
  38   22   39 1
  39   23   24 1
  40   23   25 ar
  41   24   40 1
  42   24   41 1
  43   24   42 1
  44   25   43 1