COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1      -0.123  -1.857   0.021  1.00  0.00           N  
HETATM    2  N   UNK     1      -0.729   0.371   0.160  1.00  0.00           N  
HETATM    3  C   UNK     1       0.536   0.755   0.117  1.00  0.00           C  
HETATM    4  C   UNK     1       1.531  -0.206   0.021  1.00  0.00           C  
HETATM    5  C   UNK     1       1.160  -1.542  -0.026  1.00  0.00           C  
HETATM    6  C   UNK     1      -1.050  -0.914   0.113  1.00  0.00           C  
HETATM    7  O   UNK     1      -6.453   1.824  -0.396  1.00  0.00           O  
HETATM    8  C   UNK     1      -5.680   1.458   0.456  1.00  0.00           C  
HETATM    9  C   UNK     1      -5.039   0.098   0.358  1.00  0.00           C  
HETATM   10  N   UNK     1      -5.515  -0.581  -0.855  1.00  0.00           N  
HETATM   11  C   UNK     1      -3.518   0.254   0.291  1.00  0.00           C  
HETATM   12  S   UNK     1      -2.748  -1.380   0.173  1.00  0.00           S  
HETATM   13  I   UNK     1       3.550   0.347  -0.050  1.00  0.00           I  
HETATM   14  H   UNK     1       0.790   1.803   0.155  1.00  0.00           H  
HETATM   15  H   UNK     1       1.911  -2.315  -0.101  1.00  0.00           H  
HETATM   16  H   UNK     1      -5.447   2.106   1.288  1.00  0.00           H  
HETATM   17  H   UNK     1      -5.305  -0.494   1.234  1.00  0.00           H  
HETATM   18  H   UNK     1      -5.280  -0.053  -1.681  1.00  0.00           H  
HETATM   19  H   UNK     1      -5.149  -1.520  -0.910  1.00  0.00           H  
HETATM   20  H   UNK     1      -3.252   0.845  -0.585  1.00  0.00           H  
HETATM   21  H   UNK     1      -3.165   0.758   1.191  1.00  0.00           H  
CONECT    1    6    6    5                                            
CONECT    2    6    3    3                                            
CONECT    3    2    2    4   14                                       
CONECT    4    5    5    3   13                                       
CONECT    5    1    4    4   15                                       
CONECT    6   12    1    1    2                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    9   16                                       
CONECT    9    8   10   11   17                                       
CONECT   10    9   18   19                                            
CONECT   11    9   12   20   21                                       
CONECT   12   11    6                                                 
CONECT   13    4                                                      
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16    8                                                      
CONECT   17    9                                                      
CONECT   18   10                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
