COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.014  -0.259   0.094  1.00  0.00           C  
HETATM    2  N   UNL     1       4.789   1.770  -0.445  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.405  -0.234  -0.082  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.671   0.501   0.275  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.882  -0.333  -0.148  1.00  0.00           C  
HETATM    6  S   UNL     1      -5.406   0.553   0.282  1.00  0.00           S  
HETATM    7  C   UNL     1      -6.708  -0.575  -0.287  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.078   0.038   0.008  1.00  0.00           C  
HETATM    9  CA  UNL     1       4.752   0.528   0.339  1.00  0.00           C  
HETATM   10  C   UNL     1       3.541  -0.306  -0.084  1.00  0.00           C  
HETATM   11  C   UNL     1       1.044  -0.393  -0.145  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.186   0.322   0.203  1.00  0.00           N  
HETATM   13  C   UNL     1       2.255   0.441   0.278  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.470  -1.391  -0.658  1.00  0.00           N  
HETATM   15  OXT UNL     1       6.682  -0.039  -0.888  1.00  0.00           O  
HETATM   16  O   UNL     1       6.398  -1.200   0.970  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.543   2.367  -0.140  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.861   1.572  -1.432  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.703   0.668   1.352  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.692   1.461  -0.242  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.851  -0.500  -1.224  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.861  -1.292   0.369  1.00  0.00           H  
HETATM   23  H   UNL     1      -6.605  -0.736  -1.360  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.616  -1.528   0.233  1.00  0.00           H  
HETATM   25  H   UNL     1      -8.861  -0.640  -0.334  1.00  0.00           H  
HETATM   26  H   UNL     1      -8.181   0.198   1.081  1.00  0.00           H  
HETATM   27  H   UNL     1      -8.170   0.991  -0.512  1.00  0.00           H  
HETATM   28  HA  UNL     1       4.674   0.770   1.399  1.00  0.00           H  
HETATM   29  H   UNL     1       3.572  -0.473  -1.161  1.00  0.00           H  
HETATM   30  H   UNL     1       3.562  -1.265   0.433  1.00  0.00           H  
HETATM   31  H   UNL     1       1.065  -1.352   0.373  1.00  0.00           H  
HETATM   32  H   UNL     1       2.224   0.608   1.355  1.00  0.00           H  
HETATM   33  H   UNL     1       2.234   1.400  -0.239  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.333  -1.785  -0.859  1.00  0.00           H  
HETATM   35  H   UNL     1       7.214  -1.679   0.771  1.00  0.00           H  
HETATM   36  H   UNL     1       1.076  -0.560  -1.221  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.138   1.189   0.635  1.00  0.00           H  
CONECT    1    9   16   15   15                                       
CONECT    2   17   18    9                                            
CONECT    3   12   14   14    4                                       
CONECT    4    3    5   19   20                                       
CONECT    5    4    6   21   22                                       
CONECT    6    5    7                                                 
CONECT    7    6   23   24    8                                       
CONECT    8    7   25   26   27                                       
CONECT    9    1    2   28   10                                       
CONECT   10    9   13   29   30                                       
CONECT   11   12   13   31   36                                       
CONECT   12    3   11   37                                            
CONECT   13   10   11   32   33                                       
CONECT   14    3    3   34                                            
CONECT   15    1    1                                                 
CONECT   16    1   35                                                 
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
