COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.564  -0.959  -3.640  1.00  0.00           C  
HETATM    2  C   UNL     1       3.688  -3.489   0.670  1.00  0.00           C  
HETATM    3  C   UNL     1       1.339  -3.957   0.947  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.992  -4.308   1.138  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.707  -2.496   1.060  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.476  -3.614   1.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.155  -1.086   1.103  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.376   2.142   1.206  1.00  0.00           C  
HETATM    9  C   UNL     1       2.416  -1.188  -2.606  1.00  0.00           C  
HETATM   10  C   UNL     1       4.445  -1.126  -1.358  1.00  0.00           C  
HETATM   11  C   UNL     1       5.335  -1.561  -0.222  1.00  0.00           C  
HETATM   12  C   UNL     1       6.668  -0.814  -0.304  1.00  0.00           C  
HETATM   13  C   UNL     1       7.447  -1.304  -1.497  1.00  0.00           C  
HETATM   14  C   UNL     1       7.785  -0.468  -2.447  1.00  0.00           C  
HETATM   15  C   UNL     1       4.653  -1.244   1.110  1.00  0.00           C  
HETATM   16  C   UNL     1       3.421  -2.141   1.283  1.00  0.00           C  
HETATM   17  C   UNL     1       2.677  -4.354   0.527  1.00  0.00           C  
HETATM   18  C   UNL     1       0.280  -4.793   0.774  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.141  -4.981   0.917  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.383  -4.204   0.974  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.620   1.256   1.076  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.668   3.510   0.644  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.669   4.393   0.543  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.328   3.988   0.952  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.271   4.833   0.815  1.00  0.00           C  
HETATM   26  C   UNL     1       1.006   4.304   1.088  1.00  0.00           C  
HETATM   27  C   UNL     1       2.158   4.987   0.914  1.00  0.00           C  
HETATM   28  C   UNL     1       3.401   4.211   0.961  1.00  0.00           C  
HETATM   29  C   UNL     1       4.729   2.507   1.050  1.00  0.00           C  
HETATM   30  C   UNL     1       5.496   3.625   0.968  1.00  0.00           C  
HETATM   31  C   UNL     1       5.179   1.098   1.098  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.326   1.553  -0.248  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.672   0.825  -0.283  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.481   1.319  -1.454  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.860   0.483  -2.388  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.669   0.978  -3.560  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.469   1.079  -1.393  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.467   1.081  -2.686  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.414  -2.889   1.068  1.00  0.00           N  
HETATM   40  N   UNL     1       3.436   2.897   1.061  1.00  0.00           N  
HETATM   41  O   UNL     1       3.218  -1.653  -1.489  1.00  0.00           O  
HETATM   42  O   UNL     1       4.837  -0.303  -2.151  1.00  0.00           O  
HETATM   43  O   UNL     1       7.421  -1.051   0.887  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.642  -4.670   0.950  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.336  -0.800   1.138  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.203  -0.131   1.104  1.00  0.00           O  
HETATM   47  O   UNL     1       4.659   4.680   0.913  1.00  0.00           O  
HETATM   48  O   UNL     1       6.361   0.814   1.117  1.00  0.00           O  
HETATM   49  O   UNL     1       4.229   0.140   1.121  1.00  0.00           O  
HETATM   50  O   UNL     1      -7.383   1.080   0.929  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.890   0.244  -2.158  1.00  0.00           O  
HETATM   52  O   UNL     1      -3.237   1.584  -1.563  1.00  0.00           O  
HETATM   53  H   UNL     1       9.514  -1.377  -3.307  1.00  0.00           H  
HETATM   54  H   UNL     1       7.990  -1.728  -4.158  1.00  0.00           H  
HETATM   55  H   UNL     1       8.751  -0.127  -4.319  1.00  0.00           H  
HETATM   56  H   UNL     1       4.683  -3.756   0.354  1.00  0.00           H  
HETATM   57  H   UNL     1       1.174  -2.992   1.407  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.048  -3.340   1.637  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.556  -3.649   0.995  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.103   2.232   2.257  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.551   1.692   0.654  1.00  0.00           H  
HETATM   62  H   UNL     1       2.931  -1.410  -3.540  1.00  0.00           H  
HETATM   63  H   UNL     1       1.450  -1.692  -2.595  1.00  0.00           H  
HETATM   64  H   UNL     1       2.265  -0.111  -2.521  1.00  0.00           H  
HETATM   65  H   UNL     1       5.515  -2.634  -0.292  1.00  0.00           H  
HETATM   66  H   UNL     1       6.479   0.255  -0.407  1.00  0.00           H  
HETATM   67  H   UNL     1       7.727  -2.345  -1.568  1.00  0.00           H  
HETATM   68  H   UNL     1       7.505   0.572  -2.376  1.00  0.00           H  
HETATM   69  H   UNL     1       5.351  -1.421   1.929  1.00  0.00           H  
HETATM   70  H   UNL     1       2.565  -1.680   0.789  1.00  0.00           H  
HETATM   71  H   UNL     1       3.205  -2.261   2.345  1.00  0.00           H  
HETATM   72  H   UNL     1       2.850  -5.329   0.101  1.00  0.00           H  
HETATM   73  H   UNL     1       0.422  -5.778   0.373  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.159  -6.014   0.632  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.297   1.451   1.907  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.664   3.768   0.327  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.848   5.381   0.155  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.161   3.005   1.375  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.415   5.838   0.474  1.00  0.00           H  
HETATM   80  H   UNL     1       1.065   3.284   1.469  1.00  0.00           H  
HETATM   81  H   UNL     1       2.176   6.035   0.692  1.00  0.00           H  
HETATM   82  H   UNL     1       6.575   3.662   0.951  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.492   2.626  -0.339  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.502  -0.247  -0.386  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.747   2.364  -1.524  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.593  -0.561  -2.319  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.602   1.412  -3.199  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.101   1.735  -4.100  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.890   0.145  -4.227  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.000   1.290  -3.614  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.493   1.570  -2.708  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.330   0.005  -2.581  1.00  0.00           H  
HETATM   93  H   UNL     1       7.625  -1.984   1.044  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.569   2.016   1.086  1.00  0.00           H  
CONECT    1   14   53   54   55                                       
CONECT    2   16   17   17   56                                       
CONECT    3   17   18   18   57                                       
CONECT    4   18   19   19   58                                       
CONECT    5    6    6    7   39                                       
CONECT    6   44    5    5   59                                       
CONECT    7   46    5   45   45                                       
CONECT    8   21   22   60   61                                       
CONECT    9   41   62   63   64                                       
CONECT   10   41   42   42   11                                       
CONECT   11   10   12   15   65                                       
CONECT   12   13   11   43   66                                       
CONECT   13   14   14   12   67                                       
CONECT   14    1   13   13   68                                       
CONECT   15   11   16   49   69                                       
CONECT   16   15    2   70   71                                       
CONECT   17    2    2    3   72                                       
CONECT   18    3    3    4   73                                       
CONECT   19    4    4   20   74                                       
CONECT   20   44   19   39   39                                       
CONECT   21   32   46    8   75                                       
CONECT   22    8   23   23   76                                       
CONECT   23   24   22   22   77                                       
CONECT   24   25   25   23   78                                       
CONECT   25   26   24   24   79                                       
CONECT   26   27   27   25   80                                       
CONECT   27   28   26   26   81                                       
CONECT   28   47   40   40   27                                       
CONECT   29   30   30   31   40                                       
CONECT   30   47   29   29   82                                       
CONECT   31   49   29   48   48                                       
CONECT   32   37   33   21   83                                       
CONECT   33   50   32   34   84                                       
CONECT   34   33   35   35   85                                       
CONECT   35   34   34   36   86                                       
CONECT   36   35   87   88   89                                       
CONECT   37   52   32   51   51                                       
CONECT   38   52   90   91   92                                       
CONECT   39   20   20    5                                            
CONECT   40   29   28   28                                            
CONECT   41    9   10                                                 
CONECT   42   10   10                                                 
CONECT   43   12   93                                                 
CONECT   44    6   20                                                 
CONECT   45    7    7                                                 
CONECT   46   21    7                                                 
CONECT   47   30   28                                                 
CONECT   48   31   31                                                 
CONECT   49   15   31                                                 
CONECT   50   33   94                                                 
CONECT   51   37   37                                                 
CONECT   52   38   37                                                 
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   43                                                      
CONECT   94   50                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
