COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.173   3.931   0.420  1.00  0.00           C  
HETATM    2  C   UNL     1       2.506   5.424   0.404  1.00  0.00           C  
HETATM    3  C   UNL     1       0.988   3.511  -0.451  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.127   0.816  -1.097  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.135   2.338  -0.941  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.547   2.984  -2.198  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.389   2.591  -3.413  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.969   0.424  -2.313  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.429  -2.176   1.546  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.837  -1.594   1.686  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.557  -1.687   2.704  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.503  -3.704   1.573  1.00  0.00           C  
HETATM   13  C   UNL     1       6.321  -2.939  -0.734  1.00  0.00           C  
HETATM   14  C   UNL     1       6.655  -3.867  -1.922  1.00  0.00           C  
HETATM   15  C   UNL     1       7.437  -0.761  -0.103  1.00  0.00           C  
HETATM   16  C   UNL     1       0.372  -0.632   2.681  1.00  0.00           C  
HETATM   17  C   UNL     1       6.827  -1.571  -1.248  1.00  0.00           C  
HETATM   18  C   UNL     1       4.116   0.578   0.774  1.00  0.00           C  
HETATM   19  C   UNL     1       3.106   1.484   0.118  1.00  0.00           C  
HETATM   20  C   UNL     1       6.344  -0.401   0.905  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.381   1.069  -3.570  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.714   0.171   0.159  1.00  0.00           C  
HETATM   23  C   UNL     1       1.657   1.827   1.922  1.00  0.00           C  
HETATM   24  C   UNL     1       7.888  -1.928  -2.267  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.214  -2.142   0.779  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.024  -1.038   2.102  1.00  0.00           C  
HETATM   27  C   UNL     1       2.384   3.175   1.734  1.00  0.00           C  
HETATM   28  C   UNL     1       3.340   2.949   0.544  1.00  0.00           C  
HETATM   29  C   UNL     1       0.791   0.445  -0.028  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.583   0.321   0.579  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.612  -0.873   1.535  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.815   0.618  -0.353  1.00  0.00           C  
HETATM   33  C   UNL     1       6.947   0.290   2.057  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.570   0.119  -0.485  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.750   0.352  -1.287  1.00  0.00           N  
HETATM   36  N   UNL     1       5.362   0.479   0.268  1.00  0.00           N  
HETATM   37  N   UNL     1       7.771  -3.221  -2.622  1.00  0.00           N  
HETATM   38  N   UNL     1       7.412   0.822   2.946  1.00  0.00           N  
HETATM   39  N   UNL     1       1.741   1.168   0.598  1.00  0.00           N  
HETATM   40  O   UNL     1       1.041  -0.105  -1.079  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.094   1.309   0.608  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.355  -2.076  -0.080  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.592  -1.985  -1.079  1.00  0.00           O  
HETATM   44  O   UNL     1       8.721  -1.161  -2.701  1.00  0.00           O  
HETATM   45  O   UNL     1       3.809  -0.062   1.757  1.00  0.00           O  
HETATM   46  S   UNL     1      -5.704  -1.633  -0.026  1.00  0.00           S  
HETATM   47  H   UNL     1       3.158   5.642  -0.442  1.00  0.00           H  
HETATM   48  H   UNL     1       1.586   6.001   0.312  1.00  0.00           H  
HETATM   49  H   UNL     1       3.013   5.693   1.331  1.00  0.00           H  
HETATM   50  H   UNL     1       0.552   2.594  -0.055  1.00  0.00           H  
HETATM   51  H   UNL     1       0.236   4.301  -0.448  1.00  0.00           H  
HETATM   52  H   UNL     1       1.329   3.339  -1.472  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.159   2.684  -0.800  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.535   2.618  -0.075  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.553   4.068  -2.086  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.523   2.638  -2.338  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.414   2.937  -3.273  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.971   3.051  -4.309  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.963  -0.660  -2.425  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.993   0.770  -2.172  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.784  -0.506   1.667  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.458  -1.943   0.861  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.272  -1.920   2.631  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.992  -2.013   3.649  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.554  -2.101   2.604  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.504  -0.598   2.685  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.124  -4.052   0.748  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.499  -4.118   1.473  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.938  -4.030   2.518  1.00  0.00           H  
HETATM   70  H   UNL     1       5.247  -2.912  -0.549  1.00  0.00           H  
HETATM   71  H   UNL     1       6.861  -3.243   0.163  1.00  0.00           H  
HETATM   72  H   UNL     1       6.956  -4.850  -1.559  1.00  0.00           H  
HETATM   73  H   UNL     1       5.794  -3.957  -2.584  1.00  0.00           H  
HETATM   74  H   UNL     1       8.207  -1.352   0.392  1.00  0.00           H  
HETATM   75  H   UNL     1       7.880   0.153  -0.500  1.00  0.00           H  
HETATM   76  H   UNL     1       0.137   0.314   3.170  1.00  0.00           H  
HETATM   77  H   UNL     1       0.293  -1.443   3.405  1.00  0.00           H  
HETATM   78  H   UNL     1       1.387  -0.595   2.287  1.00  0.00           H  
HETATM   79  H   UNL     1       6.016  -1.016  -1.718  1.00  0.00           H  
HETATM   80  H   UNL     1       3.161   1.390  -0.967  1.00  0.00           H  
HETATM   81  H   UNL     1       5.850  -1.311   1.245  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.981   0.790  -4.436  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.357   0.724  -3.711  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.114   0.451   1.026  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.738   0.516   0.300  1.00  0.00           H  
HETATM   86  H   UNL     1       2.161   1.225   2.679  1.00  0.00           H  
HETATM   87  H   UNL     1       0.616   1.992   2.201  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.235  -2.992   1.461  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.916  -2.314  -0.037  1.00  0.00           H  
HETATM   90  H   UNL     1       0.791  -2.024   0.376  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.344  -0.102   2.559  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.710  -1.303   1.297  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.024  -1.828   2.853  1.00  0.00           H  
HETATM   94  H   UNL     1       2.669   3.725   2.630  1.00  0.00           H  
HETATM   95  H   UNL     1       4.363   3.325   0.522  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.822   1.232   1.127  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.328  -0.375  -1.284  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.511  -0.146  -2.084  1.00  0.00           H  
HETATM   99  H   UNL     1       5.608   0.991  -0.519  1.00  0.00           H  
HETATM  100  H   UNL     1       8.350  -3.668  -3.259  1.00  0.00           H  
CONECT    1    3   28    2   27                                       
CONECT    2    1   47   48   49                                       
CONECT    3    1   50   51   52                                       
CONECT    4    8    5   35   22                                       
CONECT    5    6    4   53   54                                       
CONECT    6    7    5   55   56                                       
CONECT    7   21    6   57   58                                       
CONECT    8   21    4   59   60                                       
CONECT    9   46   10   11   12                                       
CONECT   10    9   61   62   63                                       
CONECT   11    9   64   65   66                                       
CONECT   12    9   67   68   69                                       
CONECT   13   17   14   70   71                                       
CONECT   14   37   13   72   73                                       
CONECT   15   17   20   74   75                                       
CONECT   16   31   76   77   78                                       
CONECT   17   24   15   13   79                                       
CONECT   18   36   19   45   45                                       
CONECT   19   18   28   39   80                                       
CONECT   20   15   33   36   81                                       
CONECT   21    7    8   82   83                                       
CONECT   22    4   46   84   85                                       
CONECT   23   39   27   86   87                                       
CONECT   24   44   44   37   17                                       
CONECT   25   31   88   89   90                                       
CONECT   26   31   91   92   93                                       
CONECT   27    1   28   23   94                                       
CONECT   28   19    1   27   95                                       
CONECT   29   40   40   39   30                                       
CONECT   30   29   34   31   96                                       
CONECT   31   16   30   26   25                                       
CONECT   32   35   34   41   41                                       
CONECT   33   38   38   38   20                                       
CONECT   34   32   30   97                                            
CONECT   35    4   32   98                                            
CONECT   36   20   18   99                                            
CONECT   37   24   14  100                                            
CONECT   38   33   33   33                                            
CONECT   39   19   29   23                                            
CONECT   40   29   29                                                 
CONECT   41   32   32                                                 
CONECT   42   46   46                                                 
CONECT   43   46   46                                                 
CONECT   44   24   24                                                 
CONECT   45   18   18                                                 
CONECT   46   43   43   22   42                                       
CONECT   46   42    9                                                 
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   17                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   30                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
