COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.802  -0.260   0.020  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.339  -0.103   0.007  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.357  -1.381  -0.446  1.00  0.00           N  
HETATM    4  N   UNL     1      -3.575   0.717   0.498  1.00  0.00           N1+
HETATM    5  S   UNL     1      -0.384   1.397  -0.145  1.00  0.00           S  
HETATM    6  C   UNL     1       1.237   0.678  -0.068  1.00  0.00           C  
HETATM    7  C   UNL     1       0.977  -0.706   0.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.383  -1.062   0.114  1.00  0.00           C  
HETATM    9  C   UNL     1       2.519   1.183  -0.117  1.00  0.00           C  
HETATM   10  C   UNL     1       3.594   0.322  -0.025  1.00  0.00           C  
HETATM   11  C   UNL     1       3.367  -1.042   0.115  1.00  0.00           C  
HETATM   12  C   UNL     1       2.110  -1.554   0.164  1.00  0.00           C  
HETATM   13  H   UNL     1      -4.321  -1.485  -0.437  1.00  0.00           H  
HETATM   14  H   UNL     1      -2.795  -2.092  -0.793  1.00  0.00           H  
HETATM   15  H   UNL     1      -3.172   1.532   0.837  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.539   0.615   0.503  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.668  -2.098   0.226  1.00  0.00           H  
HETATM   18  H   UNL     1       2.681   2.245  -0.226  1.00  0.00           H  
HETATM   19  H   UNL     1       4.603   0.705  -0.063  1.00  0.00           H  
HETATM   20  H   UNL     1       4.212  -1.711   0.186  1.00  0.00           H  
HETATM   21  H   UNL     1       1.972  -2.619   0.273  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    8    8                                       
CONECT    3    1   13   14                                            
CONECT    4    1    1   15   16                                       
CONECT    5    2    6                                                 
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   12                                       
CONECT    8    2    2    7   17                                       
CONECT    9    6   10   10   18                                       
CONECT   10    9    9   11   19                                       
CONECT   11   10   12   12   20                                       
CONECT   12    7   11   11   21                                       
CONECT   13    3                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
