COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.040   1.550  -0.001  1.00  0.00           N1+
HETATM    2  C   UNL     1       3.028  -0.730  -0.005  1.00  0.00           C  
HETATM    3  C   UNL     1       2.855  -2.108  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       1.576  -2.629   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       0.646  -0.517   0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.146  -0.716  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.469   0.005  -0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       1.905   0.076   0.001  1.00  0.00           C  
HETATM    9  N   UNL     1       0.522  -1.836   0.002  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.498   1.213   0.004  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.614  -0.694  -0.012  1.00  0.00           O  
HETATM   12  O   UNL     1       3.146   2.060  -0.009  1.00  0.00           O1-
HETATM   13  O   UNL     1       1.045   2.253   0.000  1.00  0.00           O  
HETATM   14  S   UNL     1      -0.796   0.496   0.010  1.00  0.00           S  
HETATM   15  H   UNL     1       4.018  -0.299  -0.008  1.00  0.00           H  
HETATM   16  H   UNL     1       3.712  -2.766  -0.004  1.00  0.00           H  
HETATM   17  H   UNL     1       1.437  -3.700   0.004  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.076  -1.347   0.884  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.069  -1.336  -0.896  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.438  -0.187  -0.012  1.00  0.00           H  
CONECT    1   12   13   13    8                                       
CONECT    2    8    3    3   15                                       
CONECT    3    2    2    4   16                                       
CONECT    4    9    9    3   17                                       
CONECT    5   14    8    8    9                                       
CONECT    6    7   14   18   19                                       
CONECT    7   10   10   11    6                                       
CONECT    8    1    5    5    2                                       
CONECT    9    5    4    4                                            
CONECT   10    7    7                                                 
CONECT   11    7   20                                                 
CONECT   12    1                                                      
CONECT   13    1    1                                                 
CONECT   14    6    5                                                 
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
