COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.667  -0.023   0.713  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.754  -0.645  -0.931  1.00  0.00           C  
HETATM    3  N   UNL     1       2.578  -1.410   0.536  1.00  0.00           N1+
HETATM    4  O   UNL     1       3.171  -2.159   1.292  1.00  0.00           O1-
HETATM    5  C   UNL     1      -4.498  -1.307  -0.782  1.00  0.00           C  
HETATM    6  C   UNL     1       0.145   0.610  -0.191  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.410  -0.341  -1.026  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.642   1.260   0.743  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.986   0.961   0.843  1.00  0.00           C  
HETATM   10  O   UNL     1       2.017   2.305   0.214  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.548   0.005   0.005  1.00  0.00           C  
HETATM   12  S   UNL     1       1.860   0.995  -0.315  1.00  0.00           S  
HETATM   13  O   UNL     1       2.258   0.636  -1.630  1.00  0.00           O  
HETATM   14  O   UNL     1       1.908  -1.867  -0.372  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.907  -0.300   0.103  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.743   0.388   1.091  1.00  0.00           C  
HETATM   17  H   UNL     1       3.197   0.340   1.439  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.189  -1.385  -1.587  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.430  -2.288  -0.312  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.544  -1.062  -0.963  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.958  -1.320  -1.729  1.00  0.00           H  
HETATM   22  H   UNL     1       0.207  -0.847  -1.754  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.205   2.002   1.394  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.601   1.469   1.571  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.736  -0.173   2.026  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.350   1.389   1.265  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.764   0.458   0.717  1.00  0.00           H  
CONECT    1    3   12   17                                            
CONECT    2    7    7   11   18                                       
CONECT    3    4    1   14   14                                       
CONECT    4    3                                                      
CONECT    5   15   19   20   21                                       
CONECT    6    7    8    8   12                                       
CONECT    7    2    2    6   22                                       
CONECT    8    6    6    9   23                                       
CONECT    9   11   11    8   24                                       
CONECT   10   12   12                                                 
CONECT   11    2   15    9    9                                       
CONECT   12    1    6   10   10                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14    3    3                                                 
CONECT   15    5   11   16                                            
CONECT   16   15   25   26   27                                       
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   16                                                      
CONECT   26   16                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
