COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1       4.683  -1.483   0.645  1.00  0.00           I  
HETATM    2  C   UNL     1       4.835   0.472  -0.091  1.00  0.00           C  
HETATM    3  C   UNL     1       6.075   1.065  -0.230  1.00  0.00           C  
HETATM    4  C   UNL     1       6.177   2.356  -0.715  1.00  0.00           C  
HETATM    5  C   UNL     1       5.039   3.062  -1.066  1.00  0.00           C  
HETATM    6  C   UNL     1       3.795   2.482  -0.934  1.00  0.00           C  
HETATM    7  C   UNL     1       3.684   1.178  -0.449  1.00  0.00           C  
HETATM    8  C   UNL     1       2.354   0.549  -0.304  1.00  0.00           C  
HETATM    9  O   UNL     1       2.261  -0.587   0.118  1.00  0.00           O  
HETATM   10  N   UNL     1       1.244   1.236  -0.641  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.074   0.614  -0.498  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.155   1.600  -0.946  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.511   0.959  -0.799  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.240   1.171   0.326  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.552   0.536   0.438  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.351   0.718   1.579  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.913   1.495   2.603  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.782   1.633   3.730  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.586   0.102   1.651  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.037  -0.691   0.607  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.020   0.147  -1.833  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.351  -0.026  -2.837  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.225  -0.441  -1.740  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.014  -0.270  -0.619  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.262  -0.881  -0.522  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.721  -1.659  -1.540  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.009  -2.254  -1.372  1.00  0.00           C  
HETATM   28  H   UNL     1       6.966   0.520   0.043  1.00  0.00           H  
HETATM   29  H   UNL     1       7.148   2.815  -0.821  1.00  0.00           H  
HETATM   30  H   UNL     1       5.126   4.071  -1.441  1.00  0.00           H  
HETATM   31  H   UNL     1       2.908   3.034  -1.208  1.00  0.00           H  
HETATM   32  H   UNL     1       1.319   2.143  -0.978  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.121  -0.283  -1.116  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.237   0.345   0.545  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.107   2.496  -0.328  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.991   1.869  -1.990  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.859   1.794   1.121  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.725   2.075   3.409  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.970   0.651   4.165  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.313   2.277   4.473  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.204   0.240   2.526  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.005  -1.167   0.678  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.546  -0.994  -2.470  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.253  -2.847  -2.253  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.000  -2.898  -0.492  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.757  -1.471  -1.242  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    7    7    3    1                                       
CONECT    3    4    4    2   28                                       
CONECT    4    5    3    3   29                                       
CONECT    5    6    6    4   30                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    8    2    2                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   32                                            
CONECT   11   10   12   33   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   21   12   14   14                                       
CONECT   14   13   13   15   37                                       
CONECT   15   24   14   16   16                                       
CONECT   16   15   15   19   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   38   39   40                                       
CONECT   19   20   20   16   41                                       
CONECT   20   25   19   19   42                                       
CONECT   21   22   22   23   13                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   43                                            
CONECT   24   23   25   25   15                                       
CONECT   25   26   24   24   20                                       
CONECT   26   27   25                                                 
CONECT   27   26   44   45   46                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
