COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.182  -0.185   0.956  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.414  -0.085  -0.230  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.838  -0.001  -0.715  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.789  -0.064   0.482  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.235   0.020  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.186  -0.043   1.187  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.632   0.042   0.694  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.583  -0.021   1.891  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.029   0.064   1.399  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.397  -0.043  -1.114  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.073  -0.019  -0.658  1.00  0.00           C  
HETATM   12  C   UNL     1       0.604  -1.210  -0.440  1.00  0.00           C  
HETATM   13  I   UNL     1      -0.355  -3.039  -0.792  1.00  0.00           I  
HETATM   14  C   UNL     1       0.559   1.194  -0.432  1.00  0.00           C  
HETATM   15  I   UNL     1      -0.467   2.989  -0.773  1.00  0.00           I  
HETATM   16  C   UNL     1       1.880   1.222   0.023  1.00  0.00           C  
HETATM   17  C   UNL     1       2.552   2.514   0.264  1.00  0.00           C  
HETATM   18  O   UNL     1       2.486   3.038   1.359  1.00  0.00           O  
HETATM   19  O   UNL     1       3.239   3.112  -0.728  1.00  0.00           O  
HETATM   20  C   UNL     1       2.563   0.027   0.250  1.00  0.00           C  
HETATM   21  I   UNL     1       4.543   0.062   0.932  1.00  0.00           I  
HETATM   22  C   UNL     1       1.926  -1.191   0.015  1.00  0.00           C  
HETATM   23  C   UNL     1       2.646  -2.459   0.247  1.00  0.00           C  
HETATM   24  O   UNL     1       3.284  -2.969  -0.652  1.00  0.00           O  
HETATM   25  O   UNL     1       2.595  -3.050   1.457  1.00  0.00           O  
HETATM   26  H   UNL     1      -3.986   0.938  -1.247  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.043  -0.836  -1.386  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.641  -1.004   1.015  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.584   0.770   1.153  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.383   0.960  -0.543  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.440  -0.814  -0.681  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.038  -0.982   1.719  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.981   0.791   1.858  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.780   0.982   0.162  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.837  -0.792   0.023  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.435  -0.961   2.424  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.378   0.813   2.562  1.00  0.00           H  
HETATM   38  H   UNL     1     -11.177   1.003   0.867  1.00  0.00           H  
HETATM   39  H   UNL     1     -11.234  -0.771   0.728  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.706   0.019   2.252  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.583  -0.029  -2.066  1.00  0.00           H  
HETATM   42  H   UNL     1       3.662   3.957  -0.523  1.00  0.00           H  
HETATM   43  H   UNL     1       3.082  -3.879   1.561  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   10                                       
CONECT    3    4    2   26   27                                       
CONECT    4    5    3   28   29                                       
CONECT    5    6    4   30   31                                       
CONECT    6    7    5   32   33                                       
CONECT    7    8    6   34   35                                       
CONECT    8    9    7   36   37                                       
CONECT    9    8   38   39   40                                       
CONECT   10    2   11   41                                            
CONECT   11   10   14   14   12                                       
CONECT   12   11   13   22   22                                       
CONECT   13   12                                                      
CONECT   14   15   11   11   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   20   20                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   42                                                 
CONECT   20   16   16   22   21                                       
CONECT   21   20                                                      
CONECT   22   12   12   20   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   43                                                 
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   19                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
