COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.065  -0.508   1.253  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.677   0.063   0.251  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.311  -0.005  -0.118  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.897   0.630  -1.226  1.00  0.00           C  
HETATM    5  N   UNL     1       0.383   0.624  -1.692  1.00  0.00           N  
HETATM    6  S   UNL     1      -0.187  -0.915   0.891  1.00  0.00           S  
HETATM    7  C   UNL     1       1.247  -1.109  -0.210  1.00  0.00           C  
HETATM    8  C   UNL     1       0.934  -2.144  -1.293  1.00  0.00           C  
HETATM    9  C   UNL     1       2.465  -1.558   0.599  1.00  0.00           C  
HETATM   10  CA  UNL     1       1.527   0.255  -0.858  1.00  0.00           C  
HETATM   11  C   UNL     1       1.722   1.291   0.219  1.00  0.00           C  
HETATM   12  O   UNL     1       0.812   2.025   0.523  1.00  0.00           O  
HETATM   13  OXT UNL     1       2.907   1.397   0.841  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.548   0.756  -0.512  1.00  0.00           O  
HETATM   15  H   UNL     1      -4.457   0.741  -0.183  1.00  0.00           H  
HETATM   16  H   UNL     1       0.542   0.875  -2.615  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.632   1.185  -1.789  1.00  0.00           H  
HETATM   18  HA  UNL     1       2.423   0.192  -1.475  1.00  0.00           H  
HETATM   19  H   UNL     1       0.075  -1.812  -1.875  1.00  0.00           H  
HETATM   20  H   UNL     1       1.797  -2.256  -1.949  1.00  0.00           H  
HETATM   21  H   UNL     1       0.707  -3.102  -0.825  1.00  0.00           H  
HETATM   22  H   UNL     1       2.250  -2.512   1.081  1.00  0.00           H  
HETATM   23  H   UNL     1       3.321  -1.673  -0.066  1.00  0.00           H  
HETATM   24  H   UNL     1       2.693  -0.810   1.359  1.00  0.00           H  
HETATM   25  HXT UNL     1       2.984   2.076   1.525  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   14                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   17                                       
CONECT    5    4   10   16                                            
CONECT    6    3    7                                                 
CONECT    7    6    8    9   10                                       
CONECT    8    7   19   20   21                                       
CONECT    9    7   22   23   24                                       
CONECT   10    5    7   11   18                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   25                                                 
CONECT   14    2   15                                                 
CONECT   15   14                                                      
CONECT   16    5                                                      
CONECT   17    4                                                      
CONECT   18   10                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   13                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
