COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.719  -0.636   1.246  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.676  -1.483   0.715  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.948  -1.016   0.458  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.270   0.315   0.736  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.322   2.114  -0.296  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.633   3.433  -0.018  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.676   4.280   0.513  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.404   3.814   0.769  1.00  0.00           C  
HETATM    9  N   UNL     1     -10.529   0.784   0.485  1.00  0.00           N  
HETATM   10  C   UNL     1       0.595  -0.533   0.694  1.00  0.00           C  
HETATM   11  O   UNL     1       1.654   1.426  -0.256  1.00  0.00           O  
HETATM   12  C   UNL     1       1.386   0.019  -0.494  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.299   1.164   1.273  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.031   0.684   1.524  1.00  0.00           C  
HETATM   15  C   UNL     1     -12.082   2.483   0.491  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.055   1.632  -0.040  1.00  0.00           C  
HETATM   17  C   UNL     1       0.590   2.232  -0.108  1.00  0.00           C  
HETATM   18  C   UNL     1       0.884  -2.566  -1.960  1.00  0.00           C  
HETATM   19  C   UNL     1       1.489  -3.044  -0.657  1.00  0.00           C  
HETATM   20  C   UNL     1       0.854  -4.950  -1.635  1.00  0.00           C  
HETATM   21  C   UNL     1       0.361  -3.867  -2.584  1.00  0.00           C  
HETATM   22  C   UNL     1       0.952  -4.068  -3.981  1.00  0.00           C  
HETATM   23  C   UNL     1       2.667  -2.178  -0.308  1.00  0.00           C  
HETATM   24  C   UNL     1       3.778  -2.534   0.265  1.00  0.00           C  
HETATM   25  C   UNL     1       4.139  -3.960   0.591  1.00  0.00           C  
HETATM   26  C   UNL     1       0.790   3.705   0.141  1.00  0.00           C  
HETATM   27  C   UNL     1       4.663  -1.350   0.565  1.00  0.00           C  
HETATM   28  C   UNL     1       6.057  -1.890   2.428  1.00  0.00           C  
HETATM   29  C   UNL     1       6.396  -1.864   3.858  1.00  0.00           C  
HETATM   30  C   UNL     1       5.489  -1.160   4.834  1.00  0.00           C  
HETATM   31  C   UNL     1       7.503  -2.461   4.291  1.00  0.00           C  
HETATM   32  C   UNL     1       8.410  -3.165   3.314  1.00  0.00           C  
HETATM   33  C   UNL     1       3.885  -0.103   0.117  1.00  0.00           C  
HETATM   34  C   UNL     1       5.441   1.655  -0.296  1.00  0.00           C  
HETATM   35  C   UNL     1       6.283   2.515  -1.202  1.00  0.00           C  
HETATM   36  C   UNL     1       7.059   3.532  -0.364  1.00  0.00           C  
HETATM   37  C   UNL     1       0.525  -0.108  -1.754  1.00  0.00           C  
HETATM   38  C   UNL     1       7.915   4.405  -1.284  1.00  0.00           C  
HETATM   39  C   UNL     1       8.691   5.423  -0.446  1.00  0.00           C  
HETATM   40  C   UNL     1       9.546   6.296  -1.366  1.00  0.00           C  
HETATM   41  C   UNL     1      10.322   7.313  -0.527  1.00  0.00           C  
HETATM   42  C   UNL     1      11.177   8.186  -1.448  1.00  0.00           C  
HETATM   43  C   UNL     1       2.671  -0.695  -0.574  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.120  -1.468  -1.825  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.179  -1.293  -0.638  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.046  -1.486   0.580  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.453  -0.959   0.292  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.333  -1.155   1.529  1.00  0.00           C  
HETATM   49  N   UNL     1     -10.823   2.013   0.743  1.00  0.00           N  
HETATM   50  O   UNL     1      -0.527   1.777  -0.176  1.00  0.00           O  
HETATM   51  O   UNL     1       4.670   0.686  -0.815  1.00  0.00           O  
HETATM   52  O   UNL     1       5.459   1.837   0.899  1.00  0.00           O  
HETATM   53  O   UNL     1      -0.895  -1.684  -0.617  1.00  0.00           O  
HETATM   54  O   UNL     1      -2.640  -0.786  -1.633  1.00  0.00           O  
HETATM   55  O   UNL     1       1.951  -2.089  -2.783  1.00  0.00           O  
HETATM   56  O   UNL     1       1.815  -4.440  -0.882  1.00  0.00           O  
HETATM   57  O   UNL     1      -1.066  -3.858  -2.638  1.00  0.00           O  
HETATM   58  O   UNL     1       0.448  -6.087  -1.585  1.00  0.00           O  
HETATM   59  O   UNL     1       4.935  -1.284   1.990  1.00  0.00           O  
HETATM   60  O   UNL     1       6.788  -2.457   1.641  1.00  0.00           O  
HETATM   61  H   UNL     1      -7.426  -2.511   0.500  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.694  -1.678   0.043  1.00  0.00           H  
HETATM   63  H   UNL     1     -15.074   1.459  -0.710  1.00  0.00           H  
HETATM   64  H   UNL     1     -15.628   3.804  -0.217  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.926   5.309   0.727  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.658   4.476   1.183  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.414  -0.123   0.680  1.00  0.00           H  
HETATM   68  H   UNL     1       0.548  -1.619   0.625  1.00  0.00           H  
HETATM   69  H   UNL     1       1.090  -0.249   1.623  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.540   2.194   1.490  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.279   1.339   1.939  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.814   0.602  -0.257  1.00  0.00           H  
HETATM   73  H   UNL     1       0.750  -2.964   0.141  1.00  0.00           H  
HETATM   74  H   UNL     1       2.039  -4.121  -3.911  1.00  0.00           H  
HETATM   75  H   UNL     1       0.570  -4.995  -4.407  1.00  0.00           H  
HETATM   76  H   UNL     1       0.670  -3.230  -4.619  1.00  0.00           H  
HETATM   77  H   UNL     1       4.670  -4.402  -0.253  1.00  0.00           H  
HETATM   78  H   UNL     1       4.778  -3.981   1.473  1.00  0.00           H  
HETATM   79  H   UNL     1       3.230  -4.529   0.786  1.00  0.00           H  
HETATM   80  H   UNL     1       1.857   3.928   0.169  1.00  0.00           H  
HETATM   81  H   UNL     1       0.321   4.276  -0.660  1.00  0.00           H  
HETATM   82  H   UNL     1       0.337   3.977   1.095  1.00  0.00           H  
HETATM   83  H   UNL     1       5.597  -1.429   0.009  1.00  0.00           H  
HETATM   84  H   UNL     1       5.795  -0.118   4.930  1.00  0.00           H  
HETATM   85  H   UNL     1       4.461  -1.205   4.473  1.00  0.00           H  
HETATM   86  H   UNL     1       5.554  -1.648   5.807  1.00  0.00           H  
HETATM   87  H   UNL     1       7.752  -2.442   5.341  1.00  0.00           H  
HETATM   88  H   UNL     1       9.259  -3.591   3.849  1.00  0.00           H  
HETATM   89  H   UNL     1       7.858  -3.962   2.815  1.00  0.00           H  
HETATM   90  H   UNL     1       8.768  -2.452   2.572  1.00  0.00           H  
HETATM   91  H   UNL     1       3.588   0.497   0.978  1.00  0.00           H  
HETATM   92  H   UNL     1       6.984   1.886  -1.751  1.00  0.00           H  
HETATM   93  H   UNL     1       5.639   3.040  -1.907  1.00  0.00           H  
HETATM   94  H   UNL     1       6.358   4.161   0.185  1.00  0.00           H  
HETATM   95  H   UNL     1       7.704   3.006   0.341  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.251   0.658  -1.737  1.00  0.00           H  
HETATM   97  H   UNL     1       1.153   0.038  -2.634  1.00  0.00           H  
HETATM   98  H   UNL     1       8.616   3.776  -1.833  1.00  0.00           H  
HETATM   99  H   UNL     1       7.270   4.931  -1.989  1.00  0.00           H  
HETATM  100  H   UNL     1       7.990   6.051   0.103  1.00  0.00           H  
HETATM  101  H   UNL     1       9.335   4.897   0.259  1.00  0.00           H  
HETATM  102  H   UNL     1      10.247   5.667  -1.915  1.00  0.00           H  
HETATM  103  H   UNL     1       8.901   6.821  -2.070  1.00  0.00           H  
HETATM  104  H   UNL     1       9.621   7.942   0.021  1.00  0.00           H  
HETATM  105  H   UNL     1      10.967   6.788   0.177  1.00  0.00           H  
HETATM  106  H   UNL     1      11.730   8.911  -0.850  1.00  0.00           H  
HETATM  107  H   UNL     1      11.879   7.557  -1.997  1.00  0.00           H  
HETATM  108  H   UNL     1      10.533   8.712  -2.152  1.00  0.00           H  
HETATM  109  H   UNL     1       2.934  -0.644  -1.631  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.791  -1.496  -2.683  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.098  -2.547   0.825  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.618  -0.939   1.420  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.401   0.102   0.048  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.881  -1.505  -0.548  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.905  -0.608   2.369  1.00  0.00           H  
HETATM  116  H   UNL     1      -5.385  -2.215   1.774  1.00  0.00           H  
HETATM  117  H   UNL     1       1.685  -1.881  -3.689  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.450  -4.657  -3.025  1.00  0.00           H  
CONECT    1   48   14   14    2                                       
CONECT    2    1    3    3   61                                       
CONECT    3    2    2    4   62                                       
CONECT    4   13   13    3    9                                       
CONECT    5    6    6   16   63                                       
CONECT    6    7    5    5   64                                       
CONECT    7    8    8    6   65                                       
CONECT    8    7    7   15   66                                       
CONECT    9    4   49   49                                            
CONECT   10   12   67   68   69                                       
CONECT   11   17   12                                                 
CONECT   12   11   10   43   37                                       
CONECT   13   14    4    4   70                                       
CONECT   14    1    1   13   71                                       
CONECT   15    8   49   16   16                                       
CONECT   16   15   15    5   72                                       
CONECT   17   26   11   50   50                                       
CONECT   18   19   44   55   21                                       
CONECT   19   23   56   18   73                                       
CONECT   20   56   21   58   58                                       
CONECT   21   18   20   57   22                                       
CONECT   22   21   74   75   76                                       
CONECT   23   24   24   43   19                                       
CONECT   24   27   25   23   23                                       
CONECT   25   24   77   78   79                                       
CONECT   26   17   80   81   82                                       
CONECT   27   59   33   24   83                                       
CONECT   28   29   60   60   59                                       
CONECT   29   30   31   31   28                                       
CONECT   30   29   84   85   86                                       
CONECT   31   29   29   32   87                                       
CONECT   32   31   88   89   90                                       
CONECT   33   51   27   43   91                                       
CONECT   34   52   52   35   51                                       
CONECT   35   36   34   92   93                                       
CONECT   36   38   35   94   95                                       
CONECT   37   12   44   96   97                                       
CONECT   38   39   36   98   99                                       
CONECT   39   40   38  100  101                                       
CONECT   40   41   39  102  103                                       
CONECT   41   42   40  104  105                                       
CONECT   42   41  106  107  108                                       
CONECT   43   33   12   23  109                                       
CONECT   44   37   53   18  110                                       
CONECT   45   53   46   54   54                                       
CONECT   46   45   47  111  112                                       
CONECT   47   46   48  113  114                                       
CONECT   48   47    1  115  116                                       
CONECT   49    9    9   15                                            
CONECT   50   17   17                                                 
CONECT   51   34   33                                                 
CONECT   52   34   34                                                 
CONECT   53   44   45                                                 
CONECT   54   45   45                                                 
CONECT   55   18  117                                                 
CONECT   56   19   20                                                 
CONECT   57   21  118                                                 
CONECT   58   20   20                                                 
CONECT   59   28   27                                                 
CONECT   60   28   28                                                 
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   16                                                      
CONECT   73   19                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   44                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
CONECT  113   47                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   55                                                      
CONECT  118   57                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
