COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.413   0.236  -0.821  1.00  0.00           C  
HETATM    2  C   UNL     1       7.616  -0.311  -0.415  1.00  0.00           C  
HETATM    3  C   UNL     1       7.641  -1.266   0.584  1.00  0.00           C  
HETATM    4  C   UNL     1       6.463  -1.678   1.180  1.00  0.00           C  
HETATM    5  C   UNL     1       5.258  -1.134   0.778  1.00  0.00           C  
HETATM    6  C   UNL     1       5.230  -0.175  -0.224  1.00  0.00           C  
HETATM    7  O   UNL     1       4.046   0.361  -0.620  1.00  0.00           O  
HETATM    8  C   UNL     1       2.868  -0.109   0.038  1.00  0.00           C  
HETATM    9  C   UNL     1       1.661   0.593  -0.529  1.00  0.00           C  
HETATM   10  O   UNL     1       1.796   1.415  -1.410  1.00  0.00           O  
HETATM   11  N   UNL     1       0.431   0.307  -0.057  1.00  0.00           N  
HETATM   12  CA  UNL     1      -0.742   0.990  -0.609  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.934   2.307   0.098  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.171   2.641   0.972  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.982   0.117  -0.407  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.199   0.777  -0.955  1.00  0.00           N  
HETATM   17  S   UNL     1      -2.425  -0.005   1.376  1.00  0.00           S  
HETATM   18  C   UNL     1      -4.215  -0.286   1.073  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.555  -1.773   1.195  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.062   0.539   2.044  1.00  0.00           C  
HETATM   21  CA  UNL     1      -4.415   0.200  -0.375  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.851  -0.967  -1.223  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.069  -1.488  -1.982  1.00  0.00           O  
HETATM   24  OXT UNL     1      -6.109  -1.428  -1.135  1.00  0.00           O  
HETATM   25  H   UNL     1       6.395   0.985  -1.598  1.00  0.00           H  
HETATM   26  H   UNL     1       8.537   0.009  -0.880  1.00  0.00           H  
HETATM   27  H   UNL     1       8.582  -1.693   0.899  1.00  0.00           H  
HETATM   28  H   UNL     1       6.485  -2.424   1.959  1.00  0.00           H  
HETATM   29  H   UNL     1       4.338  -1.455   1.244  1.00  0.00           H  
HETATM   30  H   UNL     1       2.769  -1.184  -0.117  1.00  0.00           H  
HETATM   31  H   UNL     1       2.941   0.098   1.105  1.00  0.00           H  
HETATM   32  H   UNL     1       0.323  -0.350   0.647  1.00  0.00           H  
HETATM   33  HA  UNL     1      -0.592   1.167  -1.673  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.755   2.952  -0.177  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.839  -0.871  -0.845  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.167   1.775  -0.808  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.331  -2.115   2.205  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.614  -1.922   0.986  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.960  -2.341   0.479  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.824   1.597   1.925  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.119   0.379   1.831  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.846   0.231   3.067  1.00  0.00           H  
HETATM   43  HA  UNL     1      -5.202   0.954  -0.385  1.00  0.00           H  
HETATM   44  HXT UNL     1      -6.342  -2.178  -1.699  1.00  0.00           H  
CONECT    1    6    6    2   25                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4   27                                       
CONECT    4    5    5    3   28                                       
CONECT    5    6    4    4   29                                       
CONECT    6    7    1    1    5                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   30   31                                       
CONECT    9   11    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   32                                            
CONECT   12   13   11   15   33                                       
CONECT   13   14   14   12   34                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   35                                       
CONECT   16   15   21   36                                            
CONECT   17   15   18                                                 
CONECT   18   21   17   19   20                                       
CONECT   19   18   37   38   39                                       
CONECT   20   18   40   41   42                                       
CONECT   21   16   22   18   43                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   44                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
