COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       9.055   1.037  -3.734  1.00  0.00           C  
HETATM    2  C   UNL     1       8.385   1.010  -2.358  1.00  0.00           C  
HETATM    3  C   UNL     1       8.824   2.234  -1.553  1.00  0.00           C  
HETATM    4  C   UNL     1       6.865   1.031  -2.531  1.00  0.00           C  
HETATM    5  N   UNL     1       6.223   0.884  -1.222  1.00  0.00           N  
HETATM    6  C   UNL     1       4.878   0.875  -1.129  1.00  0.00           C  
HETATM    7  O   UNL     1       4.200   1.082  -2.113  1.00  0.00           O  
HETATM    8  C   UNL     1       4.217   0.608   0.199  1.00  0.00           C  
HETATM    9  C   UNL     1       4.140  -0.902   0.435  1.00  0.00           C  
HETATM   10  C   UNL     1       3.278  -1.545  -0.653  1.00  0.00           C  
HETATM   11  O   UNL     1       5.455  -1.459   0.392  1.00  0.00           O  
HETATM   12  N   UNL     1       2.861   1.173   0.193  1.00  0.00           N  
HETATM   13  C   UNL     1       2.579   1.877   1.451  1.00  0.00           C  
HETATM   14  C   UNL     1       1.215   2.563   1.357  1.00  0.00           C  
HETATM   15  C   UNL     1       0.866   3.192   2.707  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.418   3.971   2.581  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.384   5.306   2.223  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.562   6.020   2.108  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.773   5.400   2.350  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.807   4.065   2.707  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.630   3.349   2.819  1.00  0.00           C  
HETATM   22  N   UNL     1       0.195   1.574   1.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.936   1.966   0.380  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.109   3.139   0.116  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.965   0.967   0.020  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.770  -0.377   0.327  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.137   1.372  -0.623  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.103   0.436  -0.960  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.275   0.844  -1.603  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.755   2.219  -1.446  1.00  0.00           C  
HETATM   31  S   UNL     1      -6.120  -0.226  -2.543  1.00  0.00           S  
HETATM   32  O   UNL     1      -6.808   0.595  -3.477  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.142  -1.163  -2.973  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.290  -1.007  -1.398  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.909  -0.905  -0.661  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.743  -1.315  -0.014  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.540  -2.744   0.310  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.388  -3.561   0.013  1.00  0.00           O  
HETATM   39  N   UNL     1      -1.413  -3.139   0.936  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.212  -4.554   1.257  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.890  -4.876   2.590  1.00  0.00           C  
HETATM   42  C   UNL     1       0.264  -4.840   1.362  1.00  0.00           C  
HETATM   43  C   UNL     1       0.778  -6.017   0.851  1.00  0.00           C  
HETATM   44  C   UNL     1       2.132  -6.280   0.948  1.00  0.00           C  
HETATM   45  C   UNL     1       2.971  -5.366   1.556  1.00  0.00           C  
HETATM   46  C   UNL     1       2.457  -4.189   2.068  1.00  0.00           C  
HETATM   47  C   UNL     1       1.105  -3.924   1.966  1.00  0.00           C  
HETATM   48  H   UNL     1      10.138   1.023  -3.611  1.00  0.00           H  
HETATM   49  H   UNL     1       8.742   0.165  -4.308  1.00  0.00           H  
HETATM   50  H   UNL     1       8.762   1.944  -4.263  1.00  0.00           H  
HETATM   51  H   UNL     1       8.678   0.103  -1.830  1.00  0.00           H  
HETATM   52  H   UNL     1       8.346   2.215  -0.573  1.00  0.00           H  
HETATM   53  H   UNL     1       9.907   2.220  -1.430  1.00  0.00           H  
HETATM   54  H   UNL     1       8.530   3.141  -2.082  1.00  0.00           H  
HETATM   55  H   UNL     1       6.563   1.977  -2.980  1.00  0.00           H  
HETATM   56  H   UNL     1       6.561   0.208  -3.179  1.00  0.00           H  
HETATM   57  H   UNL     1       6.765   0.794  -0.423  1.00  0.00           H  
HETATM   58  H   UNL     1       4.800   1.071   0.995  1.00  0.00           H  
HETATM   59  H   UNL     1       3.696  -1.095   1.412  1.00  0.00           H  
HETATM   60  H   UNL     1       3.669  -1.275  -1.634  1.00  0.00           H  
HETATM   61  H   UNL     1       3.298  -2.629  -0.539  1.00  0.00           H  
HETATM   62  H   UNL     1       2.251  -1.190  -0.561  1.00  0.00           H  
HETATM   63  H   UNL     1       6.034  -1.157   1.105  1.00  0.00           H  
HETATM   64  H   UNL     1       2.172   0.457   0.018  1.00  0.00           H  
HETATM   65  H   UNL     1       2.571   1.163   2.274  1.00  0.00           H  
HETATM   66  H   UNL     1       3.351   2.626   1.628  1.00  0.00           H  
HETATM   67  H   UNL     1       1.251   3.340   0.592  1.00  0.00           H  
HETATM   68  H   UNL     1       0.743   2.407   3.453  1.00  0.00           H  
HETATM   69  H   UNL     1       1.669   3.862   3.014  1.00  0.00           H  
HETATM   70  H   UNL     1       0.562   5.791   2.034  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.536   7.063   1.829  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.694   5.959   2.261  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.753   3.580   2.897  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.656   2.306   3.094  1.00  0.00           H  
HETATM   75  H   UNL     1       0.333   0.637   1.211  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.867  -0.693   0.828  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.290   2.415  -0.857  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.325   2.846  -2.227  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.843   2.236  -1.525  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.457   2.599  -0.469  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.939  -0.245  -0.966  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.896  -1.735  -1.938  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.740  -1.510  -0.603  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.663  -1.632  -0.925  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.736  -2.487   1.173  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.646  -5.171   0.470  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.456  -4.260   3.377  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.957  -4.669   2.514  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.740  -5.929   2.829  1.00  0.00           H  
HETATM   90  H   UNL     1       0.122  -6.731   0.375  1.00  0.00           H  
HETATM   91  H   UNL     1       2.533  -7.199   0.548  1.00  0.00           H  
HETATM   92  H   UNL     1       4.029  -5.571   1.633  1.00  0.00           H  
HETATM   93  H   UNL     1       3.113  -3.475   2.544  1.00  0.00           H  
HETATM   94  H   UNL     1       0.703  -3.004   2.366  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    3    4   51                                       
CONECT    3    2   52   53   54                                       
CONECT    4    2    5   55   56                                       
CONECT    5    4    6   57                                            
CONECT    6    5    8    7    7                                       
CONECT    7    6    6                                                 
CONECT    8   12    6    9   58                                       
CONECT    9    8   11   10   59                                       
CONECT   10    9   60   61   62                                       
CONECT   11    9   63                                                 
CONECT   12   13    8   64                                            
CONECT   13   14   12   65   66                                       
CONECT   14   15   13   22   67                                       
CONECT   15   16   14   68   69                                       
CONECT   16   17   15   21   21                                       
CONECT   17   18   18   16   70                                       
CONECT   18   17   17   19   71                                       
CONECT   19   18   20   20   72                                       
CONECT   20   19   19   21   73                                       
CONECT   21   16   16   20   74                                       
CONECT   22   14   23   75                                            
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   27                                       
CONECT   26   25   25   36   76                                       
CONECT   27   25   28   28   77                                       
CONECT   28   27   27   35   29                                       
CONECT   29   28   31   30                                            
CONECT   30   29   78   79   80                                       
CONECT   31   33   33   29   32                                       
CONECT   31   32   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   81   82   83                                       
CONECT   35   36   36   28   84                                       
CONECT   36   26   37   35   35                                       
CONECT   37   39   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   85                                            
CONECT   40   42   41   39   86                                       
CONECT   41   40   87   88   89                                       
CONECT   42   47   47   43   40                                       
CONECT   43   44   44   42   90                                       
CONECT   44   45   43   43   91                                       
CONECT   45   46   46   44   92                                       
CONECT   46   45   45   47   93                                       
CONECT   47   46   42   42   94                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
