@<TRIPOS>MOLECULE
REAL300019791618
  38   40    0    0    0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
   1 O1             1.1806     2.3555     0.0730 O.2     
   2 C2             1.1635     3.5689     0.0101 C.2     
   3 C3            -0.1267     4.2946     0.0533 C.ar    
   4 C4            -1.1658     3.9226    -0.8004 C.ar    
   5 C5            -2.3667     4.5989    -0.7594 C.ar    
   6 C6            -2.5428     5.6533     0.1342 C.ar    
   7 B7            -3.9105     6.4230     0.1796 Du      
   8 O8            -4.9675     6.0443    -0.6898 O.3     
   9 O9            -4.0905     7.4977     1.0901 O.3     
  10 C10           -1.5058     6.0256     0.9872 C.ar    
  11 C11           -0.3042     5.3506     0.9478 C.ar    
  12 N12            2.3188     4.2543    -0.0990 N.am    
  13 C13            3.6006     3.5465    -0.2202 C.3     
  14 C14            4.3307     4.0682    -1.4672 C.3     
  15 C15            4.4599     5.5904    -1.3761 C.3     
  16 O16            5.1741     5.9373    -0.1879 O.3     
  17 C17            5.2082     6.1036    -2.5792 C.2     
  18 N18            4.7576     6.9586    -3.4799 N.2     
  19 N19            5.6952     7.1452    -4.3451 N.pl3   
  20 N20            6.7134     6.4278    -4.0178 N.2     
  21 N21            6.4379     5.7800    -2.9375 N.2     
  22 C22            3.0660     6.2208    -1.3355 C.3     
  23 C23            2.3210     5.7236    -0.0927 C.3     
  24 H24           -1.0310     3.1024    -1.4900 H       
  25 H25           -3.1712     4.3109    -1.4199 H       
  26 H26           -5.7692     6.5755    -0.5888 H       
  27 H27           -4.9643     7.9094     1.0448 H       
  28 H28           -1.6432     6.8433     1.6792 H       
  29 H29            0.4993     5.6391     1.6093 H       
  30 H30            4.2066     3.7334     0.6663 H       
  31 H31            3.4190     2.4766    -0.3223 H       
  32 H32            3.7647     3.8039    -2.3604 H       
  33 H33            5.3235     3.6213    -1.5202 H       
  34 H34            6.0680     5.5710    -0.1453 H       
  35 H35            2.5118     5.9363    -2.2300 H       
  36 H36            3.1581     7.3062    -1.2945 H       
  37 H37            1.2948     6.0906    -0.1106 H       
  38 H38            2.8247     6.0844     0.8040 H       
@<TRIPOS>BOND
   1    1    2 2
   2    2    3 1
   3    2   12 am
   4    3   11 ar
   5    3    4 ar
   6    4    5 ar
   7    4   24 1
   8    5    6 ar
   9    5   25 1
  10    6    7 1
  11    6   10 ar
  12    7    8 1
  13    7    9 1
  14    8   26 1
  15    9   27 1
  16   10   11 ar
  17   10   28 1
  18   11   29 1
  19   12   23 1
  20   12   13 1
  21   13   14 1
  22   13   30 1
  23   13   31 1
  24   14   15 1
  25   14   32 1
  26   14   33 1
  27   15   16 1
  28   15   17 1
  29   15   22 1
  30   16   34 1
  31   17   21 1
  32   17   18 2
  33   18   19 1
  34   19   20 1
  35   20   21 2
  36   22   23 1
  37   22   35 1
  38   22   36 1
  39   23   37 1
  40   23   38 1