COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.366  23.097  31.926  1.00  0.00           C  
HETATM    2  C   UNL     1       5.304  22.100  34.491  1.00  0.00           C  
HETATM    3  C   UNL     1       4.300  21.505  33.401  1.00  0.00           C  
HETATM    4  C   UNL     1       2.805  21.974  33.886  1.00  0.00           C  
HETATM    5  C   UNL     1       2.861  22.331  35.412  1.00  0.00           C  
HETATM    6  C   UNL     1       1.755  23.322  35.851  1.00  0.00           C  
HETATM    7  C   UNL     1       1.664  23.425  37.376  1.00  0.00           C  
HETATM    8  C   UNL     1       0.712  24.553  37.789  1.00  0.00           C  
HETATM    9  C   UNL     1       0.622  24.669  39.311  1.00  0.00           C  
HETATM   10  C   UNL     1       0.088  23.387  39.937  1.00  0.00           C  
HETATM   11  C   UNL     1       0.118  21.889  41.900  1.00  0.00           C  
HETATM   12  C   UNL     1       1.267  20.922  42.195  1.00  0.00           C  
HETATM   13  N   UNL     1       4.444  22.161  32.131  1.00  0.00           N  
HETATM   14  O   UNL     1       3.391  23.956  31.002  1.00  0.00           O  
HETATM   15  S   UNL     1       4.495  23.119  35.452  1.00  0.00           S  
HETATM   16  N   UNL     1       2.394  22.935  32.940  1.00  0.00           N  
HETATM   17  O   UNL     1      -0.715  22.682  39.344  1.00  0.00           O  
HETATM   18  N   UNL     1       0.554  23.078  41.185  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.027  18.777  40.978  1.00  0.00           O  
HETATM   20  N   UNL     1       0.800  19.724  42.888  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.023  11.862  46.660  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.337  14.421  45.604  1.00  0.00           N  
HETATM   23  O   UNL     1       0.730  11.319  44.789  1.00  0.00           O  
HETATM   24  N   UNL     1       0.416  13.926  43.783  1.00  0.00           N  
HETATM   25  C   UNL     1       0.172  18.714  42.186  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.260  17.551  43.038  1.00  0.00           C  
HETATM   27  C   UNL     1       0.321  16.283  42.923  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.388  17.718  43.849  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.130  15.228  43.729  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.784  16.709  44.712  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.153  15.460  44.672  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.110  14.555  46.647  1.00  0.00           C  
HETATM   33  C   UNL     1       1.182  13.435  42.840  1.00  0.00           C  
HETATM   34  C   UNL     1       1.561  12.075  42.672  1.00  0.00           C  
HETATM   35  C   UNL     1       2.259  11.750  41.476  1.00  0.00           C  
HETATM   36  C   UNL     1       1.372  11.074  43.696  1.00  0.00           C  
HETATM   37  C   UNL     1       2.842  10.522  41.318  1.00  0.00           C  
HETATM   38  C   UNL     1       1.901   9.743  43.463  1.00  0.00           C  
HETATM   39  C   UNL     1       2.679   9.551  42.333  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.436  13.561  47.605  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.360  13.925  48.622  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.868  12.235  47.568  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.729  13.023  49.586  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.273  11.292  48.593  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.174  11.724  49.553  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.702   9.859  48.610  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.274   9.054  47.417  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.159   9.912  48.537  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.075   9.101  49.901  1.00  0.00           C  
HETATM   50  C   UNL     1       1.408   8.550  44.308  1.00  0.00           C  
HETATM   51  C   UNL     1       1.643   8.836  45.813  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.094   8.294  44.033  1.00  0.00           C  
HETATM   53  C   UNL     1       2.169   7.251  43.974  1.00  0.00           C  
HETATM   54 CO   UNL     1      -0.263  12.890  45.240  1.00  0.00          Co  
HETATM   55  H   UNL     1       5.723  21.280  35.093  1.00  0.00           H  
HETATM   56  H   UNL     1       6.120  22.638  33.986  1.00  0.00           H  
HETATM   57  H   UNL     1       4.368  20.408  33.348  1.00  0.00           H  
HETATM   58  H   UNL     1       2.162  21.086  33.791  1.00  0.00           H  
HETATM   59  H   UNL     1       2.886  21.430  36.043  1.00  0.00           H  
HETATM   60  H   UNL     1       1.982  24.316  35.439  1.00  0.00           H  
HETATM   61  H   UNL     1       0.788  22.975  35.458  1.00  0.00           H  
HETATM   62  H   UNL     1       1.291  22.472  37.780  1.00  0.00           H  
HETATM   63  H   UNL     1       2.665  23.630  37.784  1.00  0.00           H  
HETATM   64  H   UNL     1       1.082  25.504  37.378  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.289  24.344  37.385  1.00  0.00           H  
HETATM   66  H   UNL     1       1.625  24.873  39.714  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.052  25.500  39.567  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.335  22.198  42.853  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.633  21.367  41.289  1.00  0.00           H  
HETATM   70  H   UNL     1       1.736  20.625  41.245  1.00  0.00           H  
HETATM   71  H   UNL     1       2.009  21.432  42.826  1.00  0.00           H  
HETATM   72  H   UNL     1       5.186  21.993  31.482  1.00  0.00           H  
HETATM   73  H   UNL     1       1.529  23.436  32.981  1.00  0.00           H  
HETATM   74  H   UNL     1       1.216  23.689  41.620  1.00  0.00           H  
HETATM   75  H   UNL     1       0.936  19.635  43.875  1.00  0.00           H  
HETATM   76  H   UNL     1       1.117  16.117  42.213  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.952  18.638  43.802  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.582  16.887  45.418  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.550  15.530  46.797  1.00  0.00           H  
HETATM   80  H   UNL     1       1.566  14.137  42.114  1.00  0.00           H  
HETATM   81  H   UNL     1       2.330  12.481  40.684  1.00  0.00           H  
HETATM   82  H   UNL     1       3.418  10.298  40.432  1.00  0.00           H  
HETATM   83  H   UNL     1       3.190   8.606  42.221  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.775  14.922  48.635  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.432  13.300  50.358  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.470  11.026  50.322  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.372   9.027  47.485  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.977   9.536  46.474  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.879   8.028  47.445  1.00  0.00           H  
HETATM   90  H   UNL     1       0.229  10.487  49.391  1.00  0.00           H  
HETATM   91  H   UNL     1       0.245   8.889  48.569  1.00  0.00           H  
HETATM   92  H   UNL     1       0.147  10.398  47.599  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.684   9.646  50.773  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.170   9.025  49.978  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.638   8.092  49.873  1.00  0.00           H  
HETATM   96  H   UNL     1       1.289   7.982  46.409  1.00  0.00           H  
HETATM   97  H   UNL     1       2.717   8.989  45.994  1.00  0.00           H  
HETATM   98  H   UNL     1       1.089   9.741  46.105  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.438   7.443  44.639  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.673   9.191  44.299  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.238   8.067  42.966  1.00  0.00           H  
HETATM  102  H   UNL     1       1.786   6.430  44.598  1.00  0.00           H  
HETATM  103  H   UNL     1       2.023   7.003  42.912  1.00  0.00           H  
HETATM  104  H   UNL     1       3.241   7.393  44.173  1.00  0.00           H  
CONECT    1   14   14   13   16                                       
CONECT    2    3   15   55   56                                       
CONECT    3   13    4    2   57                                       
CONECT    4   16    3    5   58                                       
CONECT    5    4   15    6   59                                       
CONECT    6    5    7   60   61                                       
CONECT    7    6    8   62   63                                       
CONECT    8    7    9   64   65                                       
CONECT    9    8   10   66   67                                       
CONECT   10    9   17   17   18                                       
CONECT   11   18   12   68   69                                       
CONECT   12   11   20   70   71                                       
CONECT   13    1    3   72                                            
CONECT   14    1    1                                                 
CONECT   15    2    5                                                 
CONECT   16    1    4   73                                            
CONECT   17   10   10                                                 
CONECT   18   10   11   74                                            
CONECT   19   25   25                                                 
CONECT   20   25   12   75                                            
CONECT   21   54   42                                                 
CONECT   22   31   54   32   32                                       
CONECT   23   36   36   54                                            
CONECT   24   33   29   54   54                                       
CONECT   25   19   19   20   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   29   76                                       
CONECT   28   26   30   30   77                                       
CONECT   29   27   24   31   31                                       
CONECT   30   28   28   31   78                                       
CONECT   31   29   29   30   22                                       
CONECT   32   22   22   40   79                                       
CONECT   33   34   34   24   80                                       
CONECT   34   35   33   33   36                                       
CONECT   35   37   37   34   81                                       
CONECT   36   34   38   23   23                                       
CONECT   37   35   35   39   82                                       
CONECT   38   39   39   36   50                                       
CONECT   39   37   38   38   83                                       
CONECT   40   32   42   42   41                                       
CONECT   41   40   43   43   84                                       
CONECT   42   21   40   40   44                                       
CONECT   43   41   41   45   85                                       
CONECT   44   42   46   45   45                                       
CONECT   45   44   44   43   86                                       
CONECT   46   47   48   44   49                                       
CONECT   47   46   87   88   89                                       
CONECT   48   46   90   91   92                                       
CONECT   49   46   93   94   95                                       
CONECT   50   38   53   52   51                                       
CONECT   51   50   96   97   98                                       
CONECT   52   50   99  100  101                                       
CONECT   53   50  102  103  104                                       
CONECT   54   24   24   23   22                                       
CONECT   54   21                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   16                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   48                                                      
CONECT   93   49                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   52                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
CONECT  103   53                                                      
CONECT  104   53                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
