COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.446  -0.273   0.079  1.00  0.00           C  
HETATM    2  N   UNL     1       4.244   1.788  -0.384  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.973  -0.149  -0.047  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.227   0.590   0.343  1.00  0.00           C  
HETATM    5  S   UNL     1      -4.678  -0.364  -0.181  1.00  0.00           S  
HETATM    6  C   UNL     1      -6.065   0.669   0.367  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.385  -0.008  -0.008  1.00  0.00           C  
HETATM    8  CA  UNL     1       4.196   0.521   0.358  1.00  0.00           C  
HETATM    9  C   UNL     1       2.972  -0.283  -0.084  1.00  0.00           C  
HETATM   10  C   UNL     1       0.474  -0.337  -0.131  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.745   0.382   0.249  1.00  0.00           N  
HETATM   12  C   UNL     1       1.699   0.467   0.312  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.056  -1.285  -0.660  1.00  0.00           N  
HETATM   14  O   UNL     1       6.111  -0.029  -0.900  1.00  0.00           O  
HETATM   15  OXT UNL     1       5.824  -1.248   0.921  1.00  0.00           O  
HETATM   16  H1  UNL     1       4.308   1.622  -1.378  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.448   2.367  -0.164  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.250   0.721   1.425  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.239   1.566  -0.141  1.00  0.00           H  
HETATM   20  H   UNL     1      -6.017   0.799   1.448  1.00  0.00           H  
HETATM   21  H   UNL     1      -6.006   1.644  -0.119  1.00  0.00           H  
HETATM   22  H   UNL     1      -7.433  -0.137  -1.089  1.00  0.00           H  
HETATM   23  H   UNL     1      -7.444  -0.982   0.477  1.00  0.00           H  
HETATM   24  H   UNL     1      -8.218   0.613   0.321  1.00  0.00           H  
HETATM   25  HA  UNL     1       4.128   0.728   1.426  1.00  0.00           H  
HETATM   26  H   UNL     1       2.995  -0.414  -1.166  1.00  0.00           H  
HETATM   27  H   UNL     1       2.984  -1.259   0.400  1.00  0.00           H  
HETATM   28  H   UNL     1       0.486  -1.313   0.354  1.00  0.00           H  
HETATM   29  H   UNL     1       0.497  -0.468  -1.212  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.683   1.233   0.709  1.00  0.00           H  
HETATM   31  H   UNL     1       1.676   0.598   1.394  1.00  0.00           H  
HETATM   32  H   UNL     1       1.686   1.444  -0.173  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.248  -1.761  -0.911  1.00  0.00           H  
HETATM   34  HXT UNL     1       6.633  -1.730   0.700  1.00  0.00           H  
CONECT    1   14   14    8   15                                       
CONECT    2    8   16   17                                            
CONECT    3    4   13   13   11                                       
CONECT    4    3    5   18   19                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   20   21                                       
CONECT    7    6   22   23   24                                       
CONECT    8    1    2    9   25                                       
CONECT    9    8   12   26   27                                       
CONECT   10   11   12   28   29                                       
CONECT   11    3   10   30                                            
CONECT   12    9   10   31   32                                       
CONECT   13    3    3   33                                            
CONECT   14    1    1                                                 
CONECT   15    1   34                                                 
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
