COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      45.684  74.744  25.227  1.00  0.00           C  
HETATM    2  C   UNL     1      46.158  74.389  26.637  1.00  0.00           C  
HETATM    3  C   UNL     1      47.309  73.415  26.609  1.00  0.00           C  
HETATM    4  C   UNL     1      48.453  74.088  25.828  1.00  0.00           C  
HETATM    5  C   UNL     1      48.142  74.975  24.705  1.00  0.00           C  
HETATM    6  C   UNL     1      46.847  75.290  24.356  1.00  0.00           C  
HETATM    7  C   UNL     1      46.670  76.134  23.191  1.00  0.00           C  
HETATM    8  C   UNL     1      45.452  76.439  22.611  1.00  0.00           C  
HETATM    9  C   UNL     1      45.339  77.267  21.524  1.00  0.00           C  
HETATM   10  C   UNL     1      44.038  77.552  21.111  1.00  0.00           C  
HETATM   11  C   UNL     1      43.660  78.421  20.051  1.00  0.00           C  
HETATM   12  C   UNL     1      42.291  78.579  19.898  1.00  0.00           C  
HETATM   13  C   UNL     1      41.645  79.410  18.959  1.00  0.00           C  
HETATM   14  C   UNL     1      40.235  79.446  19.035  1.00  0.00           C  
HETATM   15  C   UNL     1      39.400  80.275  18.217  1.00  0.00           C  
HETATM   16  C   UNL     1      44.600  75.764  25.453  1.00  0.00           C  
HETATM   17  C   UNL     1      45.057  73.508  24.618  1.00  0.00           C  
HETATM   18  C   UNL     1      49.242  75.584  23.871  1.00  0.00           C  
HETATM   19  C   UNL     1      46.556  77.874  20.875  1.00  0.00           C  
HETATM   20  C   UNL     1      42.404  80.265  17.944  1.00  0.00           C  
HETATM   21  O   UNL     1      47.726  73.073  27.955  1.00  0.00           O  
HETATM   22  O   UNL     1      49.622  73.840  26.140  1.00  0.00           O  
HETATM   23  C   UNL     1      32.088  87.486  12.660  1.00  0.00           C  
HETATM   24  C   UNL     1      31.483  88.839  12.391  1.00  0.00           C  
HETATM   25  C   UNL     1      30.226  88.754  11.558  1.00  0.00           C  
HETATM   26  C   UNL     1      29.257  87.969  12.246  1.00  0.00           C  
HETATM   27  C   UNL     1      29.678  86.930  13.111  1.00  0.00           C  
HETATM   28  C   UNL     1      31.049  86.651  13.328  1.00  0.00           C  
HETATM   29  C   UNL     1      31.348  85.568  14.170  1.00  0.00           C  
HETATM   30  C   UNL     1      32.590  85.060  14.495  1.00  0.00           C  
HETATM   31  C   UNL     1      32.668  83.996  15.373  1.00  0.00           C  
HETATM   32  C   UNL     1      33.883  83.528  15.700  1.00  0.00           C  
HETATM   33  C   UNL     1      34.057  82.488  16.579  1.00  0.00           C  
HETATM   34  C   UNL     1      35.334  82.183  16.740  1.00  0.00           C  
HETATM   35  C   UNL     1      35.824  81.230  17.582  1.00  0.00           C  
HETATM   36  C   UNL     1      37.238  81.109  17.590  1.00  0.00           C  
HETATM   37  C   UNL     1      38.008  80.244  18.377  1.00  0.00           C  
HETATM   38  C   UNL     1      33.278  87.793  13.508  1.00  0.00           C  
HETATM   39  C   UNL     1      32.544  86.785  11.408  1.00  0.00           C  
HETATM   40  C   UNL     1      28.605  86.088  13.808  1.00  0.00           C  
HETATM   41  C   UNL     1      31.414  83.386  15.953  1.00  0.00           C  
HETATM   42  C   UNL     1      34.901  80.412  18.440  1.00  0.00           C  
HETATM   43  O   UNL     1      28.086  88.223  12.032  1.00  0.00           O  
HETATM   44  O   UNL     1      29.663  90.032  11.375  1.00  0.00           O  
HETATM   45  H   UNL     1      45.319  74.009  27.265  1.00  0.00           H  
HETATM   46  H   UNL     1      46.413  75.303  27.223  1.00  0.00           H  
HETATM   47  H   UNL     1      46.994  72.488  26.075  1.00  0.00           H  
HETATM   48  H   UNL     1      47.575  76.566  22.732  1.00  0.00           H  
HETATM   49  H   UNL     1      44.536  75.999  23.040  1.00  0.00           H  
HETATM   50  H   UNL     1      43.222  77.054  21.661  1.00  0.00           H  
HETATM   51  H   UNL     1      44.395  78.928  19.404  1.00  0.00           H  
HETATM   52  H   UNL     1      41.644  77.998  20.577  1.00  0.00           H  
HETATM   53  H   UNL     1      39.743  78.791  19.774  1.00  0.00           H  
HETATM   54  H   UNL     1      39.853  80.938  17.461  1.00  0.00           H  
HETATM   55  H   UNL     1      44.254  76.023  24.425  1.00  0.00           H  
HETATM   56  H   UNL     1      44.916  76.641  26.065  1.00  0.00           H  
HETATM   57  H   UNL     1      43.788  75.426  26.138  1.00  0.00           H  
HETATM   58  H   UNL     1      44.711  73.767  23.590  1.00  0.00           H  
HETATM   59  H   UNL     1      44.245  73.080  25.251  1.00  0.00           H  
HETATM   60  H   UNL     1      45.739  72.626  24.634  1.00  0.00           H  
HETATM   61  H   UNL     1      50.290  75.329  24.153  1.00  0.00           H  
HETATM   62  H   UNL     1      49.122  76.692  23.848  1.00  0.00           H  
HETATM   63  H   UNL     1      49.075  75.336  22.797  1.00  0.00           H  
HETATM   64  H   UNL     1      46.464  78.547  19.991  1.00  0.00           H  
HETATM   65  H   UNL     1      47.253  77.046  20.607  1.00  0.00           H  
HETATM   66  H   UNL     1      47.133  78.414  21.662  1.00  0.00           H  
HETATM   67  H   UNL     1      41.893  80.922  17.202  1.00  0.00           H  
HETATM   68  H   UNL     1      43.083  79.586  17.377  1.00  0.00           H  
HETATM   69  H   UNL     1      43.122  80.900  18.513  1.00  0.00           H  
HETATM   70  H   UNL     1      48.451  72.459  27.937  1.00  0.00           H  
HETATM   71  H   UNL     1      32.227  89.526  11.925  1.00  0.00           H  
HETATM   72  H   UNL     1      31.298  89.392  13.341  1.00  0.00           H  
HETATM   73  H   UNL     1      30.455  88.294  10.569  1.00  0.00           H  
HETATM   74  H   UNL     1      30.483  85.060  14.629  1.00  0.00           H  
HETATM   75  H   UNL     1      33.505  85.496  14.061  1.00  0.00           H  
HETATM   76  H   UNL     1      34.773  83.996  15.246  1.00  0.00           H  
HETATM   77  H   UNL     1      33.230  81.968  17.091  1.00  0.00           H  
HETATM   78  H   UNL     1      36.066  82.749  16.140  1.00  0.00           H  
HETATM   79  H   UNL     1      37.791  81.769  16.901  1.00  0.00           H  
HETATM   80  H   UNL     1      37.534  79.560  19.100  1.00  0.00           H  
HETATM   81  H   UNL     1      33.726  86.791  13.707  1.00  0.00           H  
HETATM   82  H   UNL     1      33.050  88.386  14.424  1.00  0.00           H  
HETATM   83  H   UNL     1      33.983  88.532  13.062  1.00  0.00           H  
HETATM   84  H   UNL     1      32.992  85.784  11.607  1.00  0.00           H  
HETATM   85  H   UNL     1      33.247  87.426  10.826  1.00  0.00           H  
HETATM   86  H   UNL     1      31.712  86.709  10.669  1.00  0.00           H  
HETATM   87  H   UNL     1      27.525  86.308  13.637  1.00  0.00           H  
HETATM   88  H   UNL     1      28.799  86.108  14.906  1.00  0.00           H  
HETATM   89  H   UNL     1      28.788  85.015  13.568  1.00  0.00           H  
HETATM   90  H   UNL     1      31.477  82.527  16.662  1.00  0.00           H  
HETATM   91  H   UNL     1      30.745  83.094  15.110  1.00  0.00           H  
HETATM   92  H   UNL     1      30.824  84.197  16.439  1.00  0.00           H  
HETATM   93  H   UNL     1      35.302  79.632  19.129  1.00  0.00           H  
HETATM   94  H   UNL     1      34.144  79.933  17.777  1.00  0.00           H  
HETATM   95  H   UNL     1      34.271  81.112  19.037  1.00  0.00           H  
HETATM   96  H   UNL     1      28.872  89.979  10.851  1.00  0.00           H  
CONECT    1    2    6   16   17                                       
CONECT    2    1    3   45   46                                       
CONECT    3    2    4   21   47                                       
CONECT    4    3    5   22   22                                       
CONECT    5    4    6    6   18                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   10   19                                       
CONECT   10    9    9   11   50                                       
CONECT   11   10   12   12   51                                       
CONECT   12   11   11   13   52                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13   15   53                                       
CONECT   15   14   37   37   54                                       
CONECT   16    1   55   56   57                                       
CONECT   17    1   58   59   60                                       
CONECT   18    5   61   62   63                                       
CONECT   19    9   64   65   66                                       
CONECT   20   13   67   68   69                                       
CONECT   21    3   70                                                 
CONECT   22    4    4                                                 
CONECT   23   24   28   38   39                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   26   44   73                                       
CONECT   26   25   27   43   43                                       
CONECT   27   26   28   28   40                                       
CONECT   28   23   27   27   29                                       
CONECT   29   28   30   30   74                                       
CONECT   30   29   29   31   75                                       
CONECT   31   30   32   32   41                                       
CONECT   32   31   31   33   76                                       
CONECT   33   32   34   34   77                                       
CONECT   34   33   33   35   78                                       
CONECT   35   34   36   36   42                                       
CONECT   36   35   35   37   79                                       
CONECT   37   15   15   36   80                                       
CONECT   38   23   81   82   83                                       
CONECT   39   23   84   85   86                                       
CONECT   40   27   87   88   89                                       
CONECT   41   31   90   91   92                                       
CONECT   42   35   93   94   95                                       
CONECT   43   26   26                                                 
CONECT   44   25   96                                                 
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   44                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
