COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.823  -0.068  -0.500  1.00  0.00           O  
HETATM    2  C   UNL     1       2.833   0.331   0.290  1.00  0.00           C  
HETATM    3  C   UNL     1       2.630  -0.166   1.523  1.00  0.00           C  
HETATM    4  C   UNL     1       1.426  -0.907   1.474  1.00  0.00           C  
HETATM    5  C   UNL     1       0.966  -0.818   0.213  1.00  0.00           C  
HETATM    6  O   UNL     1       4.057   1.566  -1.276  1.00  0.00           O1-
HETATM    7  O   UNL     1       4.839   1.472   0.681  1.00  0.00           O  
HETATM    8  N   UNL     1       3.977   1.173  -0.126  1.00  0.00           N1+
HETATM    9  H   UNL     1       3.264  -0.026   2.386  1.00  0.00           H  
HETATM   10  H   UNL     1       0.965  -1.441   2.291  1.00  0.00           H  
HETATM   11  S   UNL     1      -0.509  -1.561  -0.400  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.336  -1.697  -1.804  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.792  -2.658   0.457  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.813  -0.399  -0.169  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.106   0.517  -1.162  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.129   1.429  -0.980  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.859   1.424   0.193  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.567   0.507   1.186  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.546  -0.407   1.003  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.974   2.418   0.392  1.00  0.00           C  
HETATM   21  H   UNL     1      -1.536   0.521  -2.079  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.358   2.145  -1.755  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.137   0.503   2.103  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.318  -1.124   1.778  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.909   1.995   0.023  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.073   2.647   1.453  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.747   3.332  -0.157  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    3    3    8    1                                       
CONECT    3    2    2    4    9                                       
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    1   11                                       
CONECT    6    8                                                      
CONECT    7    8    8                                                 
CONECT    8    7    7    2    6                                       
CONECT    9    3                                                      
CONECT   10    4                                                      
CONECT   11    5   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   19   19                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   22                                       
CONECT   17   16   18   18   20                                       
CONECT   18   17   17   19   23                                       
CONECT   19   18   14   14   24                                       
CONECT   20   17   25   26   27                                       
CONECT   21   15                                                      
CONECT   22   16                                                      
CONECT   23   18                                                      
CONECT   24   19                                                      
CONECT   25   20                                                      
CONECT   26   20                                                      
CONECT   27   20                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
