COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.072  -0.277   2.629  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.068   0.003   2.005  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.164  -0.622   3.922  1.00  0.00           O  
HETATM    4  C   UNL     1       0.274  -0.239   1.953  1.00  0.00           C  
HETATM    5  C   UNL     1       1.176   0.767   2.670  1.00  0.00           C  
HETATM    6  O   UNL     1       1.338   0.373   4.035  1.00  0.00           O  
HETATM    7  C   UNL     1       0.101   0.181   0.493  1.00  0.00           C  
HETATM    8  S   UNL     1       1.719   0.203  -0.399  1.00  0.00           S  
HETATM    9  C   UNL     1       1.068  -0.217  -2.072  1.00  0.00           C  
HETATM   10  C   UNL     1       0.979   1.028  -2.955  1.00  0.00           C  
HETATM   11  C   UNL     1       1.924  -1.296  -2.737  1.00  0.00           C  
HETATM   12  CA  UNL     1      -0.339  -0.758  -1.735  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.363   0.167  -2.340  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.856   1.044  -1.669  1.00  0.00           O  
HETATM   15  OXT UNL     1      -1.727   0.019  -3.623  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.602  -0.871  -0.298  1.00  0.00           N  
HETATM   17  H   UNL     1      -2.029  -0.647   4.356  1.00  0.00           H  
HETATM   18  H   UNL     1       0.729  -1.229   1.995  1.00  0.00           H  
HETATM   19  H   UNL     1       2.150   0.794   2.182  1.00  0.00           H  
HETATM   20  H   UNL     1       0.721   1.756   2.629  1.00  0.00           H  
HETATM   21  H   UNL     1       1.912   1.033   4.449  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.407   1.142   0.417  1.00  0.00           H  
HETATM   23  H   UNL     1       1.981   1.420  -3.131  1.00  0.00           H  
HETATM   24  H   UNL     1       0.518   0.767  -3.907  1.00  0.00           H  
HETATM   25  H   UNL     1       0.376   1.786  -2.454  1.00  0.00           H  
HETATM   26  H   UNL     1       2.927  -0.907  -2.913  1.00  0.00           H  
HETATM   27  H   UNL     1       1.982  -2.168  -2.084  1.00  0.00           H  
HETATM   28  H   UNL     1       1.473  -1.583  -3.687  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.452  -1.743  -2.188  1.00  0.00           H  
HETATM   30  HXT UNL     1      -2.384   0.613  -4.011  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.591  -0.717  -0.171  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   17                                                 
CONECT    4    1    5    7   18                                       
CONECT    5    4    6   19   20                                       
CONECT    6    5   21                                                 
CONECT    7    4    8   16   22                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9   23   24   25                                       
CONECT   11    9   26   27   28                                       
CONECT   12    9   13   16   29                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   30                                                 
CONECT   16    7   12   31                                            
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
