COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.788   0.563   0.008  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.062  -0.944   0.016  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.853   0.107   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.880   1.611  -0.005  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.267   0.851   0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       2.306  -0.173  -0.001  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.360  -0.688   0.018  1.00  0.00           N1+
HETATM    8  N   UNL     1       0.415   1.365  -0.007  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.291  -1.754   0.030  1.00  0.00           O  
HETATM   10  O   UNL     1       2.704  -1.321   0.008  1.00  0.00           O  
HETATM   11  OXT UNL     1       3.188   0.845  -0.013  1.00  0.00           O  
HETATM   12  H   UNL     1       0.289  -1.966   0.023  1.00  0.00           H  
HETATM   13  H   UNL     1      -1.234   2.631  -0.013  1.00  0.00           H  
HETATM   14  H   UNL     1      -3.625   0.928   1.031  1.00  0.00           H  
HETATM   15  H   UNL     1      -3.453   1.791  -0.517  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.793   0.043  -0.504  1.00  0.00           H  
HETATM   17  HXT UNL     1       4.127   0.612  -0.015  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.553  -2.059  -0.849  1.00  0.00           H  
CONECT    1    5    7    7    4                                       
CONECT    2    7    3    3   12                                       
CONECT    3    2    2    8    6                                       
CONECT    4    1    8    8   13                                       
CONECT    5    1   14   15   16                                       
CONECT    6    3   10   10   11                                       
CONECT    7    9    1    1    2                                       
CONECT    8    4    4    3                                            
CONECT    9    7   18                                                 
CONECT   10    6    6                                                 
CONECT   11    6   17                                                 
CONECT   12    2                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17   11                                                      
CONECT   18    9                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
