COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.504  -0.459  -0.308  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.385  -0.536  -1.370  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.694   0.599  -2.097  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.121   1.811  -1.760  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.241   1.889  -0.697  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.932   0.754   0.028  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.972   0.839   1.187  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.607   0.605   0.709  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.785   1.732   0.262  1.00  0.00           C  
HETATM   10  C   UNL     1       0.075   2.210   1.404  1.00  0.00           C  
HETATM   11  O   UNL     1       0.007   1.666   2.481  1.00  0.00           O  
HETATM   12  O   UNL     1       0.915   3.241   1.226  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.108  -0.647   0.679  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.820  -1.591   0.959  1.00  0.00           O  
HETATM   15  C   UNL     1       0.306  -0.871   0.306  1.00  0.00           C  
HETATM   16  N   UNL     1       1.226   0.077   0.086  1.00  0.00           N  
HETATM   17  CA  UNL     1       0.922  -2.104   0.127  1.00  0.00           C  
HETATM   18  C   UNL     1       0.301  -3.429   0.269  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.873  -3.521   0.573  1.00  0.00           O  
HETATM   20  OXT UNL     1       1.032  -4.543   0.061  1.00  0.00           O  
HETATM   21  N   UNL     1       2.227  -1.839  -0.210  1.00  0.00           N  
HETATM   22  C   UNL     1       2.373  -0.486  -0.224  1.00  0.00           C  
HETATM   23  C   UNL     1       3.625   0.236  -0.535  1.00  0.00           C  
HETATM   24  C   UNL     1       3.652   1.632  -0.514  1.00  0.00           C  
HETATM   25  C   UNL     1       4.824   2.300  -0.805  1.00  0.00           C  
HETATM   26  C   UNL     1       5.969   1.590  -1.117  1.00  0.00           C  
HETATM   27  C   UNL     1       5.949   0.206  -1.140  1.00  0.00           C  
HETATM   28  C   UNL     1       4.785  -0.474  -0.846  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.267  -1.345   0.263  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.832  -1.484  -1.633  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.381   0.538  -2.927  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.362   2.698  -2.329  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.794   2.836  -0.435  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.034   1.829   1.639  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.231   0.083   1.929  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.148   1.413  -0.563  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.431   2.544  -0.071  1.00  0.00           H  
HETATM   38  H   UNL     1       1.446   3.512   1.987  1.00  0.00           H  
HETATM   39  H   UNL     1       2.917  -2.494  -0.400  1.00  0.00           H  
HETATM   40  HXT UNL     1       0.580  -5.391   0.166  1.00  0.00           H  
HETATM   41  H   UNL     1       2.759   2.187  -0.271  1.00  0.00           H  
HETATM   42  H   UNL     1       4.771  -1.554  -0.860  1.00  0.00           H  
HETATM   43  H   UNL     1       4.847   3.379  -0.789  1.00  0.00           H  
HETATM   44  H   UNL     1       6.884   2.118  -1.345  1.00  0.00           H  
HETATM   45  H   UNL     1       6.846  -0.342  -1.385  1.00  0.00           H  
CONECT    1    2    6    6   29                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   13                                            
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   38                                                 
CONECT   13    8   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   17   17                                       
CONECT   16   15   22   22                                            
CONECT   17   15   15   18   21                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   40                                                 
CONECT   21   17   22   39                                            
CONECT   22   16   16   21   23                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   41                                       
CONECT   25   24   24   26   43                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26   28   45                                       
CONECT   28   23   23   27   42                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   21                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   28                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
