COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.188   0.595   0.002  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.037  -1.185  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.370  -0.746  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.563  -1.509  -0.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.763  -0.857   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.792   0.530   0.005  1.00  0.00           C  
HETATM    7  C   UNL     1       4.635   0.363   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       2.338  -0.451   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.887  -0.219  -0.003  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.681   1.231   0.005  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.480   0.651   0.002  1.00  0.00           C  
HETATM   12  S   UNL     1       0.130   1.364  -0.005  1.00  0.00           S  
HETATM   13  O   UNL     1       2.772  -1.588   0.002  1.00  0.00           O  
HETATM   14  H   UNL     1       2.842   1.501   0.004  1.00  0.00           H  
HETATM   15  H   UNL     1       0.224  -2.233  -0.002  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.524  -2.589  -0.004  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.685  -1.419   0.001  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.743   1.042   0.007  1.00  0.00           H  
HETATM   19  H   UNL     1       4.911  -0.202   0.895  1.00  0.00           H  
HETATM   20  H   UNL     1       4.914  -0.202  -0.885  1.00  0.00           H  
HETATM   21  H   UNL     1       5.156   1.320   0.005  1.00  0.00           H  
CONECT    1    8    7   14                                            
CONECT    2    3    9    9   15                                       
CONECT    3    4    2   11   11                                       
CONECT    4    5    5    3   16                                       
CONECT    5    4    4    6   17                                       
CONECT    6    5   10   10   18                                       
CONECT    7    1   19   20   21                                       
CONECT    8    9    1   13   13                                       
CONECT    9    2    2   12    8                                       
CONECT   10    6    6   11                                            
CONECT   11    3    3   10   12                                       
CONECT   12   11    9                                                 
CONECT   13    8    8                                                 
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
