@<TRIPOS>MOLECULE
REAL300019631158
  43   46    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 C1             0.1031     2.1279    -0.1224 C.3     
   2 C2            -0.6178     2.0633     1.1994 C.2     
   3 N3            -0.1728     2.5373     2.3357 N.2     
   4 N4            -1.1278     2.2831     3.3285 N.pl3   
   5 C5            -1.0277     2.6328     4.6775 C.ar    
   6 C6            -2.1138     3.2101     5.3269 C.ar    
   7 C7            -2.0206     3.5509     6.6579 C.ar    
   8 C8            -0.8295     3.3261     7.3532 C.ar    
   9 C9            -0.7238     3.6956     8.7783 C.2     
  10 O10            0.0792     3.1302     9.4949 O.2     
  11 N11           -1.5174     4.6599     9.2851 N.am    
  12 C12           -2.4051     5.4182     8.4002 C.3     
  13 C13           -1.4937     4.9339    10.6434 C.2     
  14 N14           -0.7480     4.3274    11.5650 N.2     
  15 N15           -1.0154     4.8740    12.7016 N.2     
  16 N16           -1.9033     5.7903    12.5322 N.2     
  17 N17           -2.2165     5.8514    11.2830 N.pl3   
  18 C18            0.2615     2.7511     6.6960 C.ar    
  19 C19            0.1595     2.4081     5.3663 C.ar    
  20 C20           -2.1748     1.6314     2.7400 C.2     
  21 C21           -3.4085     1.1679     3.4118 C.ar    
  22 C22           -3.3923     0.8618     4.7730 C.ar    
  23 C23           -4.5479     0.4359     5.3951 C.ar    
  24 C24           -5.7180     0.3004     4.6694 C.ar    
  25 C25           -5.7392     0.5968     3.3182 C.ar    
  26 C26           -4.5919     1.0295     2.6857 C.ar    
  27 C27           -1.8735     1.4934     1.4146 C.2     
  28 H28            0.7255     1.2409    -0.2405 H       
  29 H29            0.7309     3.0186    -0.1507 H       
  30 H30           -0.6255     2.1711    -0.9319 H       
  31 H31           -3.0327     3.3873     4.7879 H       
  32 H32           -2.8657     3.9951     7.1627 H       
  33 H33           -3.3996     4.9724     8.4142 H       
  34 H34           -2.4650     6.4509     8.7438 H       
  35 H35           -2.0110     5.3957     7.3841 H       
  36 H36            1.1835     2.5757     7.2304 H       
  37 H37            1.0023     1.9637     4.8577 H       
  38 H38           -2.4783     0.9626     5.3395 H       
  39 H39           -4.5379     0.2036     6.4497 H       
  40 H40           -6.6187    -0.0380     5.1599 H       
  41 H41           -6.6560     0.4897     2.7574 H       
  42 H42           -4.6099     1.2610     1.6310 H       
  43 H43           -2.4954     1.0240     0.6667 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   28 1
   3    1   29 1
   4    1   30 1
   5    2   27 1
   6    2    3 2
   7    3    4 1
   8    4    5 1
   9    4   20 1
  10    5   19 ar
  11    5    6 ar
  12    6    7 ar
  13    6   31 1
  14    7    8 ar
  15    7   32 1
  16    8    9 1
  17    8   18 ar
  18    9   10 2
  19    9   11 am
  20   11   12 1
  21   11   13 1
  22   12   33 1
  23   12   34 1
  24   12   35 1
  25   13   17 1
  26   13   14 2
  27   14   15 1
  28   15   16 2
  29   16   17 1
  30   18   19 ar
  31   18   36 1
  32   19   37 1
  33   20   21 1
  34   20   27 2
  35   21   26 ar
  36   21   22 ar
  37   22   23 ar
  38   22   38 1
  39   23   24 ar
  40   23   39 1
  41   24   25 ar
  42   24   40 1
  43   25   26 ar
  44   25   41 1
  45   26   42 1
  46   27   43 1