COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.950   3.998   0.669  1.00  0.00           O  
HETATM    2  C   UNL     1       3.923   3.611   0.153  1.00  0.00           C  
HETATM    3  C   UNL     1       2.599   4.340   0.204  1.00  0.00           C  
HETATM    4  O   UNL     1       2.335   4.805   1.529  1.00  0.00           O  
HETATM    5  C   UNL     1       2.593   5.508  -0.785  1.00  0.00           C  
HETATM    6  C   UNL     1       1.561   3.273  -0.213  1.00  0.00           C  
HETATM    7  C   UNL     1       2.426   2.301  -1.046  1.00  0.00           C  
HETATM    8  N   UNL     1       3.798   2.474  -0.553  1.00  0.00           N  
HETATM    9  C   UNL     1       4.889   1.526  -0.794  1.00  0.00           C  
HETATM   10  C   UNL     1       4.933   0.499   0.339  1.00  0.00           C  
HETATM   11  C   UNL     1       6.140  -0.421   0.146  1.00  0.00           C  
HETATM   12  C   UNL     1       6.253  -1.370   1.341  1.00  0.00           C  
HETATM   13  C   UNL     1       7.442  -2.277   1.151  1.00  0.00           C  
HETATM   14  C   UNL     1       8.683  -1.899   1.628  1.00  0.00           C  
HETATM   15  C   UNL     1       9.773  -2.731   1.454  1.00  0.00           C  
HETATM   16  C   UNL     1       9.622  -3.941   0.802  1.00  0.00           C  
HETATM   17  C   UNL     1       8.381  -4.319   0.325  1.00  0.00           C  
HETATM   18  C   UNL     1       7.290  -3.489   0.504  1.00  0.00           C  
HETATM   19  C   UNL     1       1.960   0.860  -0.832  1.00  0.00           C  
HETATM   20  C   UNL     1       0.553   0.688  -1.410  1.00  0.00           C  
HETATM   21  C   UNL     1       0.600   0.872  -2.928  1.00  0.00           C  
HETATM   22  C   UNL     1       0.035  -0.713  -1.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.364  -0.905  -1.646  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.112   0.429  -1.607  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.022  -1.890  -0.639  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.610  -1.270   0.698  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.124  -0.883   0.453  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.503  -1.502  -3.027  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.997  -1.481  -3.393  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.837  -2.272  -2.392  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.486  -1.877  -0.964  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.414  -1.544  -0.067  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.830  -1.550  -0.441  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.769  -1.213   0.467  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.245  -1.206   0.119  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.858   0.098   0.641  1.00  0.00           C  
HETATM   37  O   UNL     1     -10.261   0.105   0.370  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.630   0.209   2.149  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.134   0.361   2.439  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.647   1.564   1.840  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.410  -0.838   1.850  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.496  -1.517   2.543  1.00  0.00           C  
HETATM   43  H   UNL     1       2.988   5.433   1.864  1.00  0.00           H  
HETATM   44  H   UNL     1       2.776   5.133  -1.792  1.00  0.00           H  
HETATM   45  H   UNL     1       1.623   6.006  -0.753  1.00  0.00           H  
HETATM   46  H   UNL     1       3.374   6.218  -0.514  1.00  0.00           H  
HETATM   47  H   UNL     1       1.145   2.772   0.661  1.00  0.00           H  
HETATM   48  H   UNL     1       0.772   3.713  -0.821  1.00  0.00           H  
HETATM   49  H   UNL     1       2.373   2.561  -2.104  1.00  0.00           H  
HETATM   50  H   UNL     1       4.722   1.014  -1.742  1.00  0.00           H  
HETATM   51  H   UNL     1       5.835   2.065  -0.834  1.00  0.00           H  
HETATM   52  H   UNL     1       5.020   1.016   1.294  1.00  0.00           H  
HETATM   53  H   UNL     1       4.018  -0.094   0.328  1.00  0.00           H  
HETATM   54  H   UNL     1       6.011  -1.002  -0.768  1.00  0.00           H  
HETATM   55  H   UNL     1       7.046   0.179   0.071  1.00  0.00           H  
HETATM   56  H   UNL     1       6.381  -0.790   2.255  1.00  0.00           H  
HETATM   57  H   UNL     1       5.347  -1.970   1.416  1.00  0.00           H  
HETATM   58  H   UNL     1       8.801  -0.954   2.136  1.00  0.00           H  
HETATM   59  H   UNL     1      10.743  -2.435   1.826  1.00  0.00           H  
HETATM   60  H   UNL     1      10.474  -4.590   0.665  1.00  0.00           H  
HETATM   61  H   UNL     1       8.264  -5.264  -0.184  1.00  0.00           H  
HETATM   62  H   UNL     1       6.320  -3.785   0.132  1.00  0.00           H  
HETATM   63  H   UNL     1       2.645   0.178  -1.336  1.00  0.00           H  
HETATM   64  H   UNL     1       1.944   0.638   0.235  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.112   1.433  -0.974  1.00  0.00           H  
HETATM   66  H   UNL     1       1.016   1.851  -3.163  1.00  0.00           H  
HETATM   67  H   UNL     1       1.225   0.095  -3.369  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.410   0.799  -3.333  1.00  0.00           H  
HETATM   69  H   UNL     1       0.711  -1.470  -1.479  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.667   1.116  -2.328  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.159   0.266  -1.860  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.042   0.856  -0.607  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.605  -2.892  -0.745  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.209  -0.386   0.915  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.694  -1.999   1.504  1.00  0.00           H  
HETATM   76  H   UNL     1       0.533  -1.674   0.812  1.00  0.00           H  
HETATM   77  H   UNL     1       0.107   0.055   0.959  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.938  -0.909  -3.746  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.138  -2.529  -3.025  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.344  -0.447  -3.409  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.126  -1.913  -4.385  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.893  -2.069  -2.571  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.648  -3.336  -2.527  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.122  -1.270   0.936  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.123  -1.824  -1.444  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.367  -1.262  -0.963  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.736  -2.057   0.589  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.388   0.945   0.141  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.480   0.042  -0.569  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.164   1.079   2.533  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.004  -0.690   2.639  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.970   0.395   3.516  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.704   1.722   1.985  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.998  -2.364   2.094  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.253  -1.221   3.553  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    1    1    3                                       
CONECT    3    2    5    6    4                                       
CONECT    4    3   43                                                 
CONECT    5    3   44   45   46                                       
CONECT    6    7    3   47   48                                       
CONECT    7    8   19    6   49                                       
CONECT    8    9    2    7                                            
CONECT    9   10    8   50   51                                       
CONECT   10   11    9   52   53                                       
CONECT   11   12   10   54   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   18   12   14   14                                       
CONECT   14   13   13   15   58                                       
CONECT   15   16   16   14   59                                       
CONECT   16   17   15   15   60                                       
CONECT   17   18   18   16   61                                       
CONECT   18   17   17   13   62                                       
CONECT   19    7   20   63   64                                       
CONECT   20   21   19   22   65                                       
CONECT   21   20   66   67   68                                       
CONECT   22   20   23   27   69                                       
CONECT   23   28   22   25   24                                       
CONECT   24   23   70   71   72                                       
CONECT   25   23   26   31   73                                       
CONECT   26   27   25   74   75                                       
CONECT   27   22   26   76   77                                       
CONECT   28   29   23   78   79                                       
CONECT   29   28   30   80   81                                       
CONECT   30   29   31   82   83                                       
CONECT   31   25   30   32   32                                       
CONECT   32   31   31   33   84                                       
CONECT   33   32   34   34   85                                       
CONECT   34   33   33   35   41                                       
CONECT   35   34   36   86   87                                       
CONECT   36   35   37   38   88                                       
CONECT   37   36   89                                                 
CONECT   38   36   39   90   91                                       
CONECT   39   41   38   40   92                                       
CONECT   40   39   93                                                 
CONECT   41   34   42   42   39                                       
CONECT   42   41   41   94   95                                       
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
