COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.095  -0.923   0.005  1.00  0.00           C  
HETATM    2  C   UNL     1       2.457  -0.653   0.003  1.00  0.00           C  
HETATM    3  N   UNL     1       3.585  -1.440   0.005  1.00  0.00           N  
HETATM    4  N   UNL     1       4.681  -0.565   0.002  1.00  0.00           N  
HETATM    5  N   UNL     1       4.258   0.650  -0.002  1.00  0.00           N  
HETATM    6  C   UNL     1       2.911   0.678  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       1.978   1.727  -0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       0.645   1.455  -0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       0.187   0.130  -0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.265  -0.149  -0.002  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.554   1.056   0.003  1.00  0.00           S  
HETATM   12  N   UNL     1      -1.820  -1.328  -0.009  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.080  -1.383  -0.007  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.735  -0.255   0.002  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.113  -0.112   0.005  1.00  0.00           N  
HETATM   16  H   UNL     1       0.744  -1.944   0.008  1.00  0.00           H  
HETATM   17  H   UNL     1       3.616  -2.410   0.009  1.00  0.00           H  
HETATM   18  H   UNL     1       2.319   2.751  -0.002  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.067   2.267  -0.004  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.509   0.773   0.009  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.682  -0.898   0.004  1.00  0.00           H  
CONECT    1    9    9    2   16                                       
CONECT    2    6    6    1    3                                       
CONECT    3    4    2   17                                            
CONECT    4    5    5    3                                            
CONECT    5    6    4    4                                            
CONECT    6    7    5    2    2                                       
CONECT    7    8    8    6   18                                       
CONECT    8    7    7    9   19                                       
CONECT    9    8   10    1    1                                       
CONECT   10    9   12   12   11                                       
CONECT   11   10   14                                                 
CONECT   12   10   10   13                                            
CONECT   13   12   14   14                                            
CONECT   14   13   13   11   15                                       
CONECT   15   14   20   21                                            
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20   15                                                      
CONECT   21   15                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
