COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.393   0.661  -1.055  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.329   0.721  -0.240  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.250  -0.327  -0.331  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.548   1.280   0.437  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.160  -0.028   0.700  1.00  0.00           C  
HETATM    6  CA  UNL     1       0.808   1.224   0.151  1.00  0.00           C  
HETATM    7  C   UNL     1       1.429   0.035   0.141  1.00  0.00           C  
HETATM    8  S   UNL     1       0.222  -1.203   0.527  1.00  0.00           S  
HETATM    9  C   UNL     1       1.530   2.408  -0.128  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.235   1.615   0.567  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.853  -1.705  -0.051  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.811  -2.021  -1.063  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.540  -1.693   1.316  1.00  0.00           C  
HETATM   14  C   UNL     1       2.888  -0.205  -0.148  1.00  0.00           C  
HETATM   15  C   UNL     1       3.584  -0.837   1.084  1.00  0.00           C  
HETATM   16  C   UNL     1       4.778  -1.563   0.408  1.00  0.00           C  
HETATM   17  C   UNL     1       4.171  -2.007  -0.941  1.00  0.00           C  
HETATM   18  O   UNL     1       3.035  -1.173  -1.199  1.00  0.00           O  
HETATM   19  O   UNL     1       2.693   2.343  -0.483  1.00  0.00           O  
HETATM   20  OXT UNL     1       0.929   3.611  -0.002  1.00  0.00           O  
HETATM   21  H   UNL     1      -5.059   1.356  -0.959  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.817  -0.317  -1.332  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.049   2.110   0.458  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.570  -0.063   1.709  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.062  -2.455  -0.053  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.234  -2.882  -0.949  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.896  -2.695   1.553  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.829  -1.371   2.077  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.384  -1.004   1.292  1.00  0.00           H  
HETATM   30  H   UNL     1       3.377   0.729  -0.423  1.00  0.00           H  
HETATM   31  H   UNL     1       3.931  -0.069   1.775  1.00  0.00           H  
HETATM   32  H   UNL     1       2.926  -1.546   1.586  1.00  0.00           H  
HETATM   33  H   UNL     1       5.611  -0.878   0.251  1.00  0.00           H  
HETATM   34  H   UNL     1       5.090  -2.427   0.995  1.00  0.00           H  
HETATM   35  H   UNL     1       4.907  -1.886  -1.735  1.00  0.00           H  
HETATM   36  H   UNL     1       3.858  -3.049  -0.880  1.00  0.00           H  
HETATM   37  HXT UNL     1       1.501   4.361  -0.214  1.00  0.00           H  
CONECT    1    2   21                                                 
CONECT    2    3   10   10    1                                       
CONECT    3   11    5    2   22                                       
CONECT    4    5    6   23                                            
CONECT    5    8    3    4   24                                       
CONECT    6    7    7    4    9                                       
CONECT    7    8   14    6    6                                       
CONECT    8    7    5                                                 
CONECT    9    6   19   19   20                                       
CONECT   10    2    2                                                 
CONECT   11   12   13    3   25                                       
CONECT   12   11   26                                                 
CONECT   13   11   27   28   29                                       
CONECT   14   15    7   18   30                                       
CONECT   15   14   16   31   32                                       
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   35   36                                       
CONECT   18   14   17                                                 
CONECT   19    9    9                                                 
CONECT   20    9   37                                                 
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
