@<TRIPOS>MOLECULE
HT2LIG000240
30   32    1
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1         -3.7954    4.7442   -0.6043 C.3       1 UNK         0.0000 
      2 C2         -3.3940    3.5169    0.2210 C.3       1 UNK         0.0000 
      3 C3         -1.8957    3.1885    0.1005 C.3       1 UNK         0.0000 
      4 C4         -1.4314    2.0197    0.9904 C.3       1 UNK         0.0000 
      5 N5         -1.9955    0.7438    0.5914 N.pl3     1 UNK         0.0000 
      6 N6         -1.3831   -0.0662   -0.3047 N.2       1 UNK         0.0000 
      7 C7         -2.2010   -1.0906   -0.3872 C.ar      1 UNK         0.0000 
      8 C8         -2.0374   -2.2879   -1.2067 C.2       1 UNK         0.0000 
      9 O9         -1.0751   -2.4918   -1.9446 O.2       1 UNK         0.0000 
     10 C10        -3.1525   -3.2626   -1.0701 C.ar      1 UNK         0.0000 
     11 C11        -3.1270   -4.4704   -1.7952 C.ar      1 UNK         0.0000 
     12 N12        -4.1161   -5.3885   -1.7089 N.ar      1 UNK         0.0000 
     13 N13        -5.1728   -5.1745   -0.9172 N.ar      1 UNK         0.0000 
     14 C14        -5.2651   -4.0382   -0.1896 C.ar      1 UNK         0.0000 
     15 C15        -4.2748   -3.0368   -0.2239 C.ar      1 UNK         0.0000 
     16 C16        -4.4255   -1.8094    0.6026 C.2       1 UNK         0.0000 
     17 O17        -5.4017   -1.6228    1.3265 O.2       1 UNK         0.0000 
     18 C18        -3.3163   -0.8701    0.4662 C.ar      1 UNK         0.0000 
     19 N19        -3.1713    0.2815    1.0806 N.2       1 UNK         0.0000 
     20 H20        -4.8587    4.9571   -0.4867 H         1 UNK         0.0000 
     21 H21        -3.6037    4.5889   -1.6666 H         1 UNK         0.0000 
     22 H22        -3.2443    5.6307   -0.2888 H         1 UNK         0.0000 
     23 H23        -3.6483    3.6934    1.2670 H         1 UNK         0.0000 
     24 H24        -3.9920    2.6632   -0.0992 H         1 UNK         0.0000 
     25 H25        -1.3156    4.0738    0.3636 H         1 UNK         0.0000 
     26 H26        -1.6522    2.9660   -0.9394 H         1 UNK         0.0000 
     27 H27        -1.6895    2.2057    2.0335 H         1 UNK         0.0000 
     28 H28        -0.3442    1.9369    0.9510 H         1 UNK         0.0000 
     29 H29        -2.3099   -4.7195   -2.4563 H         1 UNK         0.0000 
     30 H30        -6.1487   -3.9438    0.4242 H         1 UNK         0.0000 
@<TRIPOS>BOND
     1    1    2 1    
     2    1   20 1    
     3    1   21 1    
     4    1   22 1    
     5    2    3 1    
     6    2   23 1    
     7    2   24 1    
     8    3    4 1    
     9    3   25 1    
    10    3   26 1    
    11    4    5 1    
    12    4   27 1    
    13    4   28 1    
    14    5   19 ar   
    15    5    6 ar   
    16    6    7 ar   
    17    7   18 ar   
    18    7    8 1    
    19    8    9 2    
    20    8   10 1    
    21   10   15 ar   
    22   10   11 ar   
    23   11   12 ar   
    24   11   29 1    
    25   12   13 ar   
    26   13   14 ar   
    27   14   15 ar   
    28   14   30 1    
    29   15   16 1    
    30   16   17 2    
    31   16   18 1    
    32   18   19 ar   
@<TRIPOS>SUBSTRUCTURE
     1 UNK         1 GROUP             0       ****    0 ROOT