COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.821   0.118  -1.144  1.00  0.00           C  
HETATM    2  C   UNL     1       0.554   0.061   0.212  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.784  -0.098   0.654  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.822  -0.186  -0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.542  -0.128  -1.623  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.226   0.023  -2.064  1.00  0.00           C  
HETATM    7  S   UNL     1       0.114   0.095  -3.792  1.00  0.00           S  
HETATM    8  C   UNL     1       1.657   0.161   1.193  1.00  0.00           C  
HETATM    9  O   UNL     1       2.852  -0.396   0.922  1.00  0.00           O  
HETATM   10  O   UNL     1       1.483   0.745   2.243  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.058  -0.155   1.964  1.00  0.00           N1+
HETATM   12  O   UNL     1      -2.197   0.509   2.478  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.328  -0.780   2.712  1.00  0.00           O1-
HETATM   14  H   UNL     1       1.837   0.236  -1.491  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.843  -0.304   0.041  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.344  -0.201  -2.342  1.00  0.00           H  
HETATM   17  H   UNL     1       0.311  -1.274  -4.060  1.00  0.00           H  
HETATM   18  H   UNL     1       3.573  -0.331   1.563  1.00  0.00           H  
CONECT    1    2    2    6   14                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5   15                                       
CONECT    5    4    6    6   16                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   17                                                 
CONECT    8    2    9   10   10                                       
CONECT    9    8   18                                                 
CONECT   10    8    8                                                 
CONECT   11    3   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11                                                      
CONECT   14    1                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    7                                                      
CONECT   18    9                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
