COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.469  -2.512   0.381  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.331  -1.324   0.166  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.514  -0.431   0.154  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.364   0.989  -0.232  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.214   1.489  -0.686  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.203   2.748  -0.993  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.108   3.442  -1.479  1.00  0.00           N  
HETATM    8  S   UNL     1      -4.795   3.440  -0.697  1.00  0.00           S  
HETATM    9  C   UNL     1      -5.381   1.869  -0.154  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.685  -0.896   0.484  1.00  0.00           N  
HETATM   11  O   UNL     1      -5.849  -2.278   0.749  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.184  -2.648   1.098  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.102  -0.818  -0.058  1.00  0.00           N  
HETATM   14  CA  UNL     1      -0.922  -1.678   0.067  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.484  -1.724   1.508  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.094  -1.102   2.345  1.00  0.00           O  
HETATM   17  C   UNL     1       0.211  -1.115  -0.793  1.00  0.00           C  
HETATM   18  S   UNL     1       0.676   0.543  -0.199  1.00  0.00           S  
HETATM   19  N   UNL     1       1.400  -1.972  -0.675  1.00  0.00           N  
HETATM   20  CA  UNL     1       2.647  -1.525  -1.096  1.00  0.00           C  
HETATM   21  C   UNL     1       3.685  -2.540  -1.263  1.00  0.00           C  
HETATM   22  O   UNL     1       4.825  -2.207  -1.529  1.00  0.00           O  
HETATM   23  OXT UNL     1       3.380  -3.847  -1.122  1.00  0.00           O  
HETATM   24  C   UNL     1       2.996  -0.257  -1.365  1.00  0.00           C  
HETATM   25  C   UNL     1       2.081   0.931  -1.286  1.00  0.00           C  
HETATM   26  C   UNL     1       4.327  -0.022  -1.753  1.00  0.00           C  
HETATM   27  C   UNL     1       5.162   0.668  -0.932  1.00  0.00           C  
HETATM   28  C   UNL     1       4.756   0.984   0.389  1.00  0.00           C  
HETATM   29  C   UNL     1       5.437   1.775   1.277  1.00  0.00           C  
HETATM   30  C   UNL     1       6.751   2.436   0.951  1.00  0.00           C  
HETATM   31  N   UNL     1       4.838   1.905   2.436  1.00  0.00           N  
HETATM   32  C   UNL     1       3.713   1.291   2.599  1.00  0.00           C  
HETATM   33  S   UNL     1       3.282   0.436   1.183  1.00  0.00           S  
HETATM   34  H   UNL     1      -1.264   2.984  -1.615  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.185   4.387  -1.685  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.383   1.651   0.184  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.226  -3.721   1.285  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.487  -2.110   1.996  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.857  -2.395   0.278  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.999   0.115  -0.300  1.00  0.00           H  
HETATM   41  HA  UNL     1      -1.169  -2.684  -0.270  1.00  0.00           H  
HETATM   42  H   UNL     1       0.376  -2.312   1.792  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.105  -1.062  -1.835  1.00  0.00           H  
HETATM   44  H   UNL     1       1.313  -2.861  -0.298  1.00  0.00           H  
HETATM   45  HXT UNL     1       4.131  -4.443  -1.250  1.00  0.00           H  
HETATM   46  H   UNL     1       1.713   1.174  -2.283  1.00  0.00           H  
HETATM   47  H   UNL     1       2.627   1.784  -0.883  1.00  0.00           H  
HETATM   48  H   UNL     1       4.686  -0.389  -2.703  1.00  0.00           H  
HETATM   49  H   UNL     1       6.135   0.975  -1.286  1.00  0.00           H  
HETATM   50  H   UNL     1       6.567   3.420   0.522  1.00  0.00           H  
HETATM   51  H   UNL     1       7.340   2.541   1.862  1.00  0.00           H  
HETATM   52  H   UNL     1       7.298   1.823   0.234  1.00  0.00           H  
HETATM   53  H   UNL     1       3.123   1.317   3.504  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   13    3                                       
CONECT    3    2    4   10   10                                       
CONECT    4    3    9    9    5                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    8    7                                       
CONECT    7    6   34   35                                            
CONECT    8    6    9                                                 
CONECT    9    4    4    8   36                                       
CONECT   10    3    3   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   37   38   39                                       
CONECT   13    2   14   40                                            
CONECT   14   13   15   17   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15                                                 
CONECT   17   14   19   18   43                                       
CONECT   18   17   25                                                 
CONECT   19   17   20   44                                            
CONECT   20   19   21   24   24                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   45                                                 
CONECT   24   20   20   25   26                                       
CONECT   25   18   24   46   47                                       
CONECT   26   24   27   27   48                                       
CONECT   27   26   26   28   49                                       
CONECT   28   27   33   29   29                                       
CONECT   29   28   28   31   30                                       
CONECT   30   29   50   51   52                                       
CONECT   31   29   32   32                                            
CONECT   32   31   31   33   53                                       
CONECT   33   28   32                                                 
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
