COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.498  -2.134  -0.656  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.231  -3.271   0.058  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.084  -3.101   1.571  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.714  -3.237  -0.317  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.629  -4.612  -0.366  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.038  -2.167  -0.287  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.624  -3.017   0.473  1.00  0.00           O  
HETATM    8  N   UNL     1      -6.192  -1.253  -0.801  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.772  -1.286  -0.442  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.036  -2.266  -1.357  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.083  -1.752  -2.798  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.579  -2.389  -0.907  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.710  -3.637  -1.283  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.181   0.092  -0.602  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.791   0.946  -1.210  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.976   0.374  -0.070  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.355   1.679  -0.313  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.224   2.436   1.010  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.597   2.753   1.545  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.579   2.375   0.951  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.730   3.457   2.687  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.916   3.809   3.277  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.637   4.503   4.396  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.701   3.936   3.456  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.232   4.587   4.508  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.988   1.480  -0.915  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.573   0.359  -1.121  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.226   2.548  -1.225  1.00  0.00           N  
HETATM   29  C   UNL     1       1.103   2.355  -1.811  1.00  0.00           C  
HETATM   30  C   UNL     1       1.978   3.572  -1.502  1.00  0.00           C  
HETATM   31  O   UNL     1       1.440   4.723  -2.155  1.00  0.00           O  
HETATM   32  C   UNL     1       0.974   2.192  -3.326  1.00  0.00           C  
HETATM   33  C   UNL     1       3.379   3.321  -1.996  1.00  0.00           C  
HETATM   34  O   UNL     1       3.836   4.000  -2.891  1.00  0.00           O  
HETATM   35  N   UNL     1       4.124   2.343  -1.444  1.00  0.00           N  
HETATM   36  C   UNL     1       5.486   2.100  -1.926  1.00  0.00           C  
HETATM   37  C   UNL     1       6.097   0.961  -1.149  1.00  0.00           C  
HETATM   38  C   UNL     1       5.953  -0.338  -1.600  1.00  0.00           C  
HETATM   39  C   UNL     1       6.513  -1.382  -0.888  1.00  0.00           C  
HETATM   40  C   UNL     1       7.218  -1.127   0.275  1.00  0.00           C  
HETATM   41  I   UNL     1       8.067  -2.709   1.354  1.00  0.00           I  
HETATM   42  C   UNL     1       7.361   0.173   0.725  1.00  0.00           C  
HETATM   43  C   UNL     1       6.805   1.217   0.010  1.00  0.00           C  
HETATM   44  H   UNL     1      -8.603  -2.255  -1.735  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.928  -1.179  -0.355  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.514  -2.146   1.873  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.607  -3.911   2.080  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.028  -3.125   1.839  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.819  -3.358  -1.396  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.237  -4.047   0.191  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.144  -2.282  -0.015  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.572  -4.636  -0.099  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.151  -5.422   0.143  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.734  -4.733  -1.444  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.523  -0.573  -1.409  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.666  -1.607   0.595  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.603  -0.775  -2.851  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.559  -2.450  -3.450  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.121  -1.664  -3.118  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.545  -2.762   0.116  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.053  -3.082  -1.564  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.101  -1.411  -0.953  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.749  -3.549  -1.604  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.187  -4.336  -1.936  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.677  -4.003  -0.257  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.519  -0.286   0.474  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.975   2.253  -1.001  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.687   1.819   1.730  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.676   3.364   0.845  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.902   3.572   2.908  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.357   4.921   5.084  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.647   3.815   3.252  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.682   5.079   5.296  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.558   3.445  -1.061  1.00  0.00           H  
HETATM   75  H   UNL     1       1.560   1.461  -1.386  1.00  0.00           H  
HETATM   76  H   UNL     1       0.516   3.086  -3.750  1.00  0.00           H  
HETATM   77  H   UNL     1       1.962   2.048  -3.762  1.00  0.00           H  
HETATM   78  H   UNL     1       0.350   1.325  -3.546  1.00  0.00           H  
HETATM   79  H   UNL     1       3.758   1.800  -0.729  1.00  0.00           H  
HETATM   80  H   UNL     1       5.457   1.843  -2.984  1.00  0.00           H  
HETATM   81  H   UNL     1       6.087   2.998  -1.786  1.00  0.00           H  
HETATM   82  H   UNL     1       5.404  -0.537  -2.508  1.00  0.00           H  
HETATM   83  H   UNL     1       6.401  -2.397  -1.239  1.00  0.00           H  
HETATM   84  H   UNL     1       7.911   0.373   1.633  1.00  0.00           H  
HETATM   85  H   UNL     1       6.921   2.233   0.359  1.00  0.00           H  
HETATM   86  H   UNL     1       1.997   3.741  -0.425  1.00  0.00           H  
HETATM   87  H   UNL     1       1.393   4.643  -3.118  1.00  0.00           H  
CONECT    1    2    6   44   45                                       
CONECT    2    1    3    4    5                                       
CONECT    3    2   46   47   48                                       
CONECT    4    2   49   50   51                                       
CONECT    5    2   52   53   54                                       
CONECT    6    1    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   55                                            
CONECT    9    8   10   14   56                                       
CONECT   10    9   11   12   13                                       
CONECT   11   10   57   58   59                                       
CONECT   12   10   60   61   62                                       
CONECT   13   10   63   64   65                                       
CONECT   14    9   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   66                                            
CONECT   17   16   18   26   67                                       
CONECT   18   17   19   68   69                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   24                                            
CONECT   22   21   23   23   70                                       
CONECT   23   22   22   25   71                                       
CONECT   24   21   25   25   72                                       
CONECT   25   23   24   24   73                                       
CONECT   26   17   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   74                                            
CONECT   29   28   30   32   75                                       
CONECT   30   29   31   33   86                                       
CONECT   31   30   87                                                 
CONECT   32   29   76   77   78                                       
CONECT   33   30   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   79                                            
CONECT   36   35   37   80   81                                       
CONECT   37   36   38   38   43                                       
CONECT   38   37   37   39   82                                       
CONECT   39   38   40   40   83                                       
CONECT   40   39   39   41   42                                       
CONECT   41   40                                                      
CONECT   42   40   43   43   84                                       
CONECT   43   37   42   42   85                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
