COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.796   3.950  -0.255  1.00  0.00           C  
HETATM    2  C   UNL     1       3.465   3.548  -0.770  1.00  0.00           C  
HETATM    3  C   UNL     1       3.507   2.324  -1.689  1.00  0.00           C  
HETATM    4  C   UNL     1       2.247   1.483  -1.464  1.00  0.00           C  
HETATM    5  C   UNL     1       0.973   3.420  -0.848  1.00  0.00           C  
HETATM    6  C   UNL     1       2.182   4.338  -1.048  1.00  0.00           C  
HETATM    7  C   UNL     1       2.091   5.521  -0.082  1.00  0.00           C  
HETATM    8  C   UNL     1       1.211   0.036   0.141  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.075   0.738   0.582  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.157  -0.308   0.857  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.324   0.501   0.227  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.008  -0.780  -0.862  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.751   0.275  -1.066  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.434   1.616  -0.463  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.449   1.434   0.697  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.788   1.623   2.724  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.499   1.009   3.902  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.408  -2.075  -1.521  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.739  -3.727  -3.160  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.648  -4.101  -4.166  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.686  -1.252   1.965  1.00  0.00           C  
HETATM   22  C   UNL     1       0.601  -1.954   1.523  1.00  0.00           C  
HETATM   23  C   UNL     1       1.683  -0.908   1.249  1.00  0.00           C  
HETATM   24  C   UNL     1       3.780  -2.045   1.749  1.00  0.00           C  
HETATM   25  C   UNL     1       5.046  -2.736   1.314  1.00  0.00           C  
HETATM   26  C   UNL     1       4.695  -4.037   0.590  1.00  0.00           C  
HETATM   27  C   UNL     1       5.972  -4.675   0.040  1.00  0.00           C  
HETATM   28  N   UNL     1       4.633   4.401  -1.030  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.140   0.836   1.843  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.381  -2.466  -2.496  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.725  -2.256   2.229  1.00  0.00           N  
HETATM   32  N   UNL     1       2.915  -1.580   0.826  1.00  0.00           N  
HETATM   33  N   UNL     1       5.634  -5.924  -0.655  1.00  0.00           N  
HETATM   34  O   UNL     1       4.663   1.540  -1.388  1.00  0.00           O  
HETATM   35  O   UNL     1       1.090   2.286  -1.710  1.00  0.00           O  
HETATM   36  O   UNL     1       2.200   4.820  -2.393  1.00  0.00           O  
HETATM   37  O   UNL     1       2.223   1.013  -0.116  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.515   1.619  -0.452  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.359   0.347   1.270  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.898  -0.769  -0.091  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.800   2.826   2.569  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.430  -4.372  -3.469  1.00  0.00           O  
HETATM   43  O   UNL     1       3.539  -1.907   2.930  1.00  0.00           O  
HETATM   44  O   UNL     1       5.846  -3.030   2.461  1.00  0.00           O  
HETATM   45  H   UNL     1       5.563   3.993   0.809  1.00  0.00           H  
HETATM   46  H   UNL     1       6.043   2.925  -0.533  1.00  0.00           H  
HETATM   47  H   UNL     1       6.647   4.599  -0.467  1.00  0.00           H  
HETATM   48  H   UNL     1       3.475   3.224   0.271  1.00  0.00           H  
HETATM   49  H   UNL     1       3.547   2.650  -2.729  1.00  0.00           H  
HETATM   50  H   UNL     1       2.251   0.633  -2.146  1.00  0.00           H  
HETATM   51  H   UNL     1       0.938   3.086   0.189  1.00  0.00           H  
HETATM   52  H   UNL     1       0.060   3.964  -1.086  1.00  0.00           H  
HETATM   53  H   UNL     1       2.954   6.172  -0.221  1.00  0.00           H  
HETATM   54  H   UNL     1       1.177   6.082  -0.281  1.00  0.00           H  
HETATM   55  H   UNL     1       2.075   5.153   0.943  1.00  0.00           H  
HETATM   56  H   UNL     1       1.020  -0.536  -0.767  1.00  0.00           H  
HETATM   57  H   UNL     1       0.117   1.310   1.490  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.349  -0.880  -0.051  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.845   0.920  -0.658  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.627   0.181  -1.692  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.986   2.259  -1.221  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.351   2.075  -0.093  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.032   2.399   0.982  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.528   0.780   3.627  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.989   0.092   4.196  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.493   1.711   4.736  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.505  -2.853  -0.764  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.362  -1.943  -2.032  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.688  -3.606  -3.682  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.831  -4.516  -2.414  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.954  -4.987  -4.721  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.493  -3.273  -4.859  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.494  -0.680   2.873  1.00  0.00           H  
HETATM   74  H   UNL     1       0.937  -2.626   2.313  1.00  0.00           H  
HETATM   75  H   UNL     1       0.409  -2.526   0.616  1.00  0.00           H  
HETATM   76  H   UNL     1       1.875  -0.336   2.157  1.00  0.00           H  
HETATM   77  H   UNL     1       5.603  -2.084   0.641  1.00  0.00           H  
HETATM   78  H   UNL     1       4.217  -4.724   1.288  1.00  0.00           H  
HETATM   79  H   UNL     1       4.013  -3.822  -0.232  1.00  0.00           H  
HETATM   80  H   UNL     1       6.450  -3.989  -0.658  1.00  0.00           H  
HETATM   81  H   UNL     1       6.654  -4.890   0.863  1.00  0.00           H  
HETATM   82  H   UNL     1       4.423   5.369  -0.839  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.130  -0.126   1.967  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.474  -2.532  -2.059  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.437  -2.892   2.957  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.603  -1.815   2.460  1.00  0.00           H  
HETATM   87  H   UNL     1       3.108  -1.690  -0.118  1.00  0.00           H  
HETATM   88  H   UNL     1       6.462  -6.366  -1.028  1.00  0.00           H  
HETATM   89  H   UNL     1       5.132  -6.553  -0.046  1.00  0.00           H  
HETATM   90  H   UNL     1       4.754   0.747  -1.934  1.00  0.00           H  
HETATM   91  H   UNL     1       1.416   5.330  -2.639  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.276   2.164  -0.207  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.693  -4.616  -4.045  1.00  0.00           H  
HETATM   94  H   UNL     1       5.413  -3.607   3.105  1.00  0.00           H  
CONECT    1   28   45   46   47                                       
CONECT    2   28    3    6   48                                       
CONECT    3   34    2    4   49                                       
CONECT    4    3   37   35   50                                       
CONECT    5    6   35   51   52                                       
CONECT    6   36    2    7    5                                       
CONECT    7    6   53   54   55                                       
CONECT    8   37   23    9   56                                       
CONECT    9    8   38   10   57                                       
CONECT   10    9   21   39   58                                       
CONECT   11   39   40   15   59                                       
CONECT   12   18   40   13   13                                       
CONECT   13   12   12   14   60                                       
CONECT   14   13   15   61   62                                       
CONECT   15   11   29   14   63                                       
CONECT   16   29   17   41   41                                       
CONECT   17   16   64   65   66                                       
CONECT   18   30   12   67   68                                       
CONECT   19   20   30   69   70                                       
CONECT   20   19   42   71   72                                       
CONECT   21   22   10   31   73                                       
CONECT   22   23   21   74   75                                       
CONECT   23   32    8   22   76                                       
CONECT   24   25   32   43   43                                       
CONECT   25   44   26   24   77                                       
CONECT   26   27   25   78   79                                       
CONECT   27   33   26   80   81                                       
CONECT   28    1    2   82                                            
CONECT   29   15   16   83                                            
CONECT   30   19   18   84                                            
CONECT   31   21   85   86                                            
CONECT   32   24   23   87                                            
CONECT   33   27   88   89                                            
CONECT   34    3   90                                                 
CONECT   35    4    5                                                 
CONECT   36    6   91                                                 
CONECT   37    4    8                                                 
CONECT   38    9   92                                                 
CONECT   39   10   11                                                 
CONECT   40   11   12                                                 
CONECT   41   16   16                                                 
CONECT   42   20   93                                                 
CONECT   43   24   24                                                 
CONECT   44   25   94                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   38                                                      
CONECT   93   42                                                      
CONECT   94   44                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
