COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.094  -0.642  -1.159  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.259  -0.287  -0.505  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.247  -0.065   0.858  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.068  -0.198   1.569  1.00  0.00           C  
HETATM    5  I   UNL     1      -0.048   0.137   3.637  1.00  0.00           I  
HETATM    6  C   UNL     1       1.097  -0.553   0.915  1.00  0.00           C  
HETATM    7  C   UNL     1       1.082  -0.779  -0.448  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.109  -0.884  -2.646  1.00  0.00           C  
HETATM    9  C   UNL     1       0.180   0.426  -3.379  1.00  0.00           C  
HETATM   10  N   UNL     1       1.501   0.930  -2.978  1.00  0.00           N  
HETATM   11  C   UNL     1       0.166   0.184  -4.867  1.00  0.00           C  
HETATM   12  O   UNL     1       1.188  -0.126  -5.440  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.982   0.313  -5.559  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.996   0.085  -6.957  1.00  0.00           O  
HETATM   15  H   UNL     1      -2.180  -0.184  -1.060  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.157   0.211   1.369  1.00  0.00           H  
HETATM   17  H   UNL     1       2.018  -0.656   1.470  1.00  0.00           H  
HETATM   18  H   UNL     1       1.993  -1.057  -0.959  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.088  -1.258  -2.944  1.00  0.00           H  
HETATM   20  H   UNL     1       0.653  -1.619  -2.902  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.581   1.162  -3.124  1.00  0.00           H  
HETATM   22  H   UNL     1       2.171   0.221  -3.233  1.00  0.00           H  
HETATM   23  H   UNL     1       1.693   1.733  -3.558  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.800   0.562  -5.101  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.904   0.229  -7.255  1.00  0.00           H  
CONECT    1    2    2    7    8                                       
CONECT    2    1    1    3   15                                       
CONECT    3    2    4    4   16                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4                                                      
CONECT    6    4    7    7   17                                       
CONECT    7    1    6    6   18                                       
CONECT    8    1    9   19   20                                       
CONECT    9    8   10   11   21                                       
CONECT   10    9   22   23                                            
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   24                                            
CONECT   14   13   25                                                 
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
