COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.472   1.729   1.000  1.00  0.00           S  
HETATM    2  C   UNL     1      -4.728   0.410   0.915  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.437  -0.388  -0.341  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.431  -0.786  -1.129  1.00  0.00           C  
HETATM    5  CA  UNL     1      -3.046  -0.716  -0.678  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.835  -1.729  -1.746  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.782  -2.333  -2.205  1.00  0.00           O  
HETATM    8  OXT UNL     1      -1.593  -1.975  -2.204  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.002  -0.217  -0.143  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.933   0.766   0.927  1.00  0.00           C  
HETATM   11  CA  UNL     1      -0.757   1.710   0.672  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.594   2.638   1.849  1.00  0.00           C  
HETATM   13  O   UNL     1       0.440   2.644   2.474  1.00  0.00           O  
HETATM   14  N   UNL     1       0.468   0.927   0.494  1.00  0.00           N  
HETATM   15  C   UNL     1       1.496   1.436  -0.214  1.00  0.00           C  
HETATM   16  O   UNL     1       1.441   2.576  -0.632  1.00  0.00           O  
HETATM   17  C   UNL     1       2.693   0.604  -0.484  1.00  0.00           C  
HETATM   18  N   UNL     1       3.637   1.055  -1.261  1.00  0.00           N  
HETATM   19  O   UNL     1       3.576   2.381  -1.753  1.00  0.00           O  
HETATM   20  C   UNL     1       4.676   2.740  -2.592  1.00  0.00           C  
HETATM   21  C   UNL     1       2.815  -0.736   0.128  1.00  0.00           C  
HETATM   22  C   UNL     1       3.934  -1.480   0.020  1.00  0.00           C  
HETATM   23  S   UNL     1       3.675  -2.995   0.882  1.00  0.00           S  
HETATM   24  C   UNL     1       2.051  -2.475   1.317  1.00  0.00           C  
HETATM   25  N   UNL     1       1.150  -3.212   2.067  1.00  0.00           N  
HETATM   26  N   UNL     1       1.829  -1.293   0.832  1.00  0.00           N  
HETATM   27  H   UNL     1      -4.652  -0.234   1.792  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.725   0.847   0.857  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.455  -0.673  -0.805  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.214  -1.224  -2.092  1.00  0.00           H  
HETATM   31  HXT UNL     1      -1.506  -2.641  -2.899  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.783   0.254   1.878  1.00  0.00           H  
HETATM   33  HA  UNL     1      -0.948   2.295  -0.228  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.401   3.297   2.133  1.00  0.00           H  
HETATM   35  H   UNL     1       0.540   0.043   0.886  1.00  0.00           H  
HETATM   36  H   UNL     1       5.606   2.647  -2.032  1.00  0.00           H  
HETATM   37  H   UNL     1       4.705   2.077  -3.457  1.00  0.00           H  
HETATM   38  H   UNL     1       4.556   3.770  -2.928  1.00  0.00           H  
HETATM   39  H   UNL     1       4.834  -1.196  -0.506  1.00  0.00           H  
HETATM   40  H   UNL     1       1.398  -4.090   2.397  1.00  0.00           H  
HETATM   41  H   UNL     1       0.271  -2.850   2.263  1.00  0.00           H  
CONECT    1    2   10                                                 
CONECT    2    1    3   27   28                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   29   30                                       
CONECT    5    3    6    9    9                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   31                                                 
CONECT    9    5    5   10                                            
CONECT   10    1    9   11   32                                       
CONECT   11   10   12   14   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   35                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   21                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   36   37   38                                       
CONECT   21   17   22   22   26                                       
CONECT   22   21   21   23   39                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   25   24   40   41                                            
CONECT   26   21   24   24                                            
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
