COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.351   0.509   0.252  1.00  0.00           C  
HETATM    2  C   UNL     1       4.022   0.451   0.726  1.00  0.00           C  
HETATM    3  C   UNL     1       3.058  -0.112  -0.034  1.00  0.00           C  
HETATM    4  CA  UNL     1       0.727  -0.778  -0.400  1.00  0.00           C  
HETATM    5  C   UNL     1       0.718  -2.268  -0.177  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.633  -0.196  -0.011  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.894  -0.456   1.474  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.730  -0.861  -0.845  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.535   0.458   1.902  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.990   0.608  -0.526  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.937   0.247  -1.296  1.00  0.00           C  
HETATM   12  N   UNL     1       1.773  -0.167   0.424  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.035  -0.317  -0.460  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.520  -0.294   0.733  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.682   0.257   0.728  1.00  0.00           N1+
HETATM   16  O   UNL     1       5.626   0.056  -0.844  1.00  0.00           O  
HETATM   17  O   UNL     1       1.112  -2.725   0.869  1.00  0.00           O  
HETATM   18  OXT UNL     1       0.273  -3.088  -1.143  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.370   1.680  -1.816  1.00  0.00           O  
HETATM   20  O   UNL     1       0.527   2.174   0.248  1.00  0.00           O  
HETATM   21  S   UNL     1      -0.638   1.591  -0.321  1.00  0.00           S  
HETATM   22  H   UNL     1       3.777   0.857   1.696  1.00  0.00           H  
HETATM   23  H   UNL     1       3.303  -0.517  -1.004  1.00  0.00           H  
HETATM   24  HA  UNL     1       0.924  -0.568  -1.451  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.112   0.018   2.069  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.863  -0.042   1.752  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.891  -1.530   1.661  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.552  -0.664  -1.902  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.719  -1.937  -0.669  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.312   1.425   2.352  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.582   0.430   1.600  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.345  -0.333   2.628  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.898   1.089  -0.858  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.837   0.382  -2.362  1.00  0.00           H  
HETATM   35  H   UNL     1       1.553   0.197   1.296  1.00  0.00           H  
HETATM   36  HXT UNL     1       0.286  -4.036  -0.954  1.00  0.00           H  
HETATM   37  O   UNL     1       6.315   1.071   1.011  1.00  0.00           O  
HETATM   38  H   UNL     1       7.191   1.064   0.603  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.339   2.584  -2.158  1.00  0.00           H  
CONECT    1   16   16    2   37                                       
CONECT    2    1    3    3   22                                       
CONECT    3    2    2   12   23                                       
CONECT    4    5   12    6   24                                       
CONECT    5   17   17   18    4                                       
CONECT    6    4   21    8    7                                       
CONECT    7    6   25   26   27                                       
CONECT    8    6   13   28   29                                       
CONECT    9   15   30   31   32                                       
CONECT   10   11   11   15   33                                       
CONECT   11   13   10   10   34                                       
CONECT   12    4    3   35                                            
CONECT   13    8   14   11                                            
CONECT   14   13   15   15                                            
CONECT   15   14   14   10    9                                       
CONECT   16    1    1                                                 
CONECT   17    5    5                                                 
CONECT   18    5   36                                                 
CONECT   19   21   39                                                 
CONECT   20   21   21                                                 
CONECT   21   20   20    6   19                                       
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   18                                                      
CONECT   37    1   38                                                 
CONECT   38   37                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
