COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.205   0.985  -2.234  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.549   1.479  -1.339  1.00  0.00           C  
HETATM    3  OXT UNL     1      -3.225   2.786  -1.382  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.112   0.649  -0.201  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.888   0.008  -0.338  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.922   0.602   0.832  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.208   1.380   0.733  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.677  -0.159   2.103  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.461  -1.475   1.793  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.204  -0.572   0.827  1.00  0.00           C  
HETATM   11  CA  UNL     1      -0.110  -1.536   0.362  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.710  -2.572  -0.553  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.313  -2.677  -1.689  1.00  0.00           O  
HETATM   14  N   UNL     1       0.925  -0.790  -0.357  1.00  0.00           N  
HETATM   15  C   UNL     1       2.182  -1.273  -0.421  1.00  0.00           C  
HETATM   16  O   UNL     1       2.455  -2.325   0.116  1.00  0.00           O  
HETATM   17  CA  UNL     1       3.247  -0.505  -1.161  1.00  0.00           C  
HETATM   18  N   UNL     1       4.354  -1.409  -1.502  1.00  0.00           N  
HETATM   19  C   UNL     1       3.761   0.610  -0.287  1.00  0.00           C  
HETATM   20  C   UNL     1       3.304   1.901  -0.474  1.00  0.00           C  
HETATM   21  C   UNL     1       3.775   2.924   0.327  1.00  0.00           C  
HETATM   22  C   UNL     1       4.703   2.656   1.316  1.00  0.00           C  
HETATM   23  C   UNL     1       5.160   1.365   1.503  1.00  0.00           C  
HETATM   24  C   UNL     1       4.685   0.341   0.705  1.00  0.00           C  
HETATM   25  HXT UNL     1      -3.537   3.291  -2.146  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.478  -0.058  -1.215  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.958   0.778   0.220  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.562   1.626   1.734  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.035   2.299   0.173  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.294   0.519   2.865  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.612  -0.602   2.447  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.767   0.221   1.434  1.00  0.00           H  
HETATM   33  HA  UNL     1       0.332  -2.029   1.228  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.494  -3.222  -0.193  1.00  0.00           H  
HETATM   35  H   UNL     1       0.707   0.052  -0.786  1.00  0.00           H  
HETATM   36  HA  UNL     1       2.825  -0.086  -2.074  1.00  0.00           H  
HETATM   37  H1  UNL     1       5.052  -0.933  -2.055  1.00  0.00           H  
HETATM   38  H2  UNL     1       4.762  -1.811  -0.672  1.00  0.00           H  
HETATM   39  H   UNL     1       2.579   2.111  -1.247  1.00  0.00           H  
HETATM   40  H   UNL     1       3.418   3.933   0.181  1.00  0.00           H  
HETATM   41  H   UNL     1       5.072   3.455   1.942  1.00  0.00           H  
HETATM   42  H   UNL     1       5.886   1.156   2.275  1.00  0.00           H  
HETATM   43  H   UNL     1       5.042  -0.668   0.852  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   25                                                 
CONECT    4    5    2    6    6                                       
CONECT    5   10    4   26                                            
CONECT    6    4    4    8    7                                       
CONECT    7    6   27   28   29                                       
CONECT    8    9    6   30   31                                       
CONECT    9   10    8                                                 
CONECT   10    9    5   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   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   19   18   36                                       
CONECT   18   17   37   38                                            
CONECT   19   24   17   20   20                                       
CONECT   20   19   19   21   39                                       
CONECT   21   22   22   20   40                                       
CONECT   22   23   21   21   41                                       
CONECT   23   24   24   22   42                                       
CONECT   24   23   23   19   43                                       
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
