COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.406   1.066  -0.477  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.799   1.632   0.820  1.00  0.00           N  
HETATM    3  S   UNL     1      -0.855  -1.957   0.064  1.00  0.00           S  
HETATM    4  C   UNL     1      -2.252   0.116  -0.282  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.006   0.531  -0.245  1.00  0.00           N  
HETATM    6  S   UNL     1       2.125   1.455  -0.137  1.00  0.00           S  
HETATM    7  C   UNL     1      -2.434  -1.200  -0.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.086  -0.377  -0.071  1.00  0.00           C  
HETATM    9  C   UNL     1       1.362  -0.124  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       2.312  -1.068   0.179  1.00  0.00           C  
HETATM   11  C   UNL     1       3.602  -0.586   0.211  1.00  0.00           C  
HETATM   12  C   UNL     1       3.718   0.738   0.060  1.00  0.00           C  
HETATM   13  H   UNL     1      -4.250   0.529  -0.910  1.00  0.00           H  
HETATM   14  H   UNL     1      -3.105   1.870  -1.148  1.00  0.00           H  
HETATM   15  H   UNL     1      -3.016   2.080   1.271  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.571   2.273   0.716  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.385  -1.712  -0.142  1.00  0.00           H  
HETATM   18  H   UNL     1       2.078  -2.116   0.289  1.00  0.00           H  
HETATM   19  H   UNL     1       4.458  -1.230   0.348  1.00  0.00           H  
HETATM   20  H   UNL     1       4.649   1.284   0.059  1.00  0.00           H  
CONECT    1    2    4   13   14                                       
CONECT    2    1   15   16                                            
CONECT    3    7    8                                                 
CONECT    4    1    5    7    7                                       
CONECT    5    4    8    8                                            
CONECT    6    9   12                                                 
CONECT    7    3    4    4   17                                       
CONECT    8    3    5    5    9                                       
CONECT    9    6    8   10   10                                       
CONECT   10    9    9   11   18                                       
CONECT   11   10   12   12   19                                       
CONECT   12    6   11   11   20                                       
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    2                                                      
CONECT   17    7                                                      
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20   12                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
