COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.130   1.102   0.002  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.023   0.603   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.868  -0.881   0.001  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.847  -1.599   0.000  1.00  0.00           O  
HETATM    5  N   UNL     1      -1.633  -1.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.507  -0.594   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.727  -1.179   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.880  -0.377   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.185  -0.531   0.000  1.00  0.00           N1+
HETATM   10  O   UNL     1       3.865  -1.773  -0.001  1.00  0.00           O1-
HETATM   11  O   UNL     1       3.713   0.562   0.001  1.00  0.00           O  
HETATM   12  N   UNL     1       2.968   1.521   0.001  1.00  0.00           N  
HETATM   13  C   UNL     1       1.725   1.099   0.001  1.00  0.00           C  
HETATM   14  C   UNL     1       0.431   1.642   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.655   0.813   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.926   1.385  -0.005  1.00  0.00           N  
HETATM   17  H   UNL     1      -1.526  -2.383  -0.001  1.00  0.00           H  
HETATM   18  H   UNL     1       0.817  -2.255  -0.001  1.00  0.00           H  
HETATM   19  H   UNL     1       0.294   2.714   0.001  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.022   2.350  -0.009  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   17                                            
CONECT    6    5   15    7    7                                       
CONECT    7    6    6    8   18                                       
CONECT    8    7   13    9    9                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   13   13   11                                            
CONECT   13   14    8   12   12                                       
CONECT   14   15   15   13   19                                       
CONECT   15   16    6   14   14                                       
CONECT   16    2   15   20                                            
CONECT   17    5                                                      
CONECT   18    7                                                      
CONECT   19   14                                                      
CONECT   20   16                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
