COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.269   1.859   0.329  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.766   1.256   1.643  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.126  -0.194   1.438  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.127  -1.127   1.241  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.451  -0.589   1.451  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.454  -2.464   1.058  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.779  -1.919   1.266  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.784  -2.858   1.071  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.799   1.581   0.157  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.255   0.717   0.810  1.00  0.00           O  
HETATM   11  O   UNL     1      -7.469  -3.382   0.867  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.149  -3.367  -0.523  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.675  -3.725  -0.721  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.856  -2.663  -0.229  1.00  0.00           O  
HETATM   15  N   UNL     1      -6.090   2.317  -0.747  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.669   1.936  -0.922  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.063   1.551   0.429  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.571   1.887   0.433  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.765   2.331   1.543  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.965   1.502   1.785  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.160   1.946   2.894  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.667   2.282   2.898  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.620   0.757  -1.857  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.312   0.763  -2.853  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.832  -0.300  -1.615  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.933  -1.640  -2.257  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.697  -0.398  -0.677  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.542  -1.885  -0.291  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.691  -2.602  -1.053  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.438   0.092  -1.343  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.429   0.314  -2.535  1.00  0.00           O  
HETATM   32  N   UNL     1      -0.320   0.283  -0.615  1.00  0.00           N  
HETATM   33  C   UNL     1       0.877   0.846  -1.244  1.00  0.00           C  
HETATM   34  C   UNL     1       0.788   2.373  -1.236  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.381   2.820  -2.117  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.471   4.347  -2.109  1.00  0.00           C  
HETATM   37  O   UNL     1       1.982  -0.059   0.630  1.00  0.00           O  
HETATM   38  C   UNL     1       2.099   0.411  -0.477  1.00  0.00           C  
HETATM   39  O   UNL     1       3.571   1.032  -2.196  1.00  0.00           O  
HETATM   40  N   UNL     1       4.546   0.171  -0.398  1.00  0.00           N  
HETATM   41  C   UNL     1       5.876   0.318  -0.994  1.00  0.00           C  
HETATM   42  C   UNL     1       6.918  -0.188  -0.030  1.00  0.00           C  
HETATM   43  O   UNL     1       6.582  -0.628   1.049  1.00  0.00           O  
HETATM   44  C   UNL     1       3.453   0.560  -1.084  1.00  0.00           C  
HETATM   45  N   UNL     1       8.222  -0.152  -0.367  1.00  0.00           N  
HETATM   46  C   UNL     1       9.235  -0.643   0.571  1.00  0.00           C  
HETATM   47  C   UNL     1      10.461  -1.071  -0.194  1.00  0.00           C  
HETATM   48  C   UNL     1      10.976  -0.258  -1.186  1.00  0.00           C  
HETATM   49  C   UNL     1      11.068  -2.280   0.094  1.00  0.00           C  
HETATM   50  C   UNL     1      12.103  -0.649  -1.884  1.00  0.00           C  
HETATM   51  C   UNL     1      12.193  -2.672  -0.607  1.00  0.00           C  
HETATM   52  C   UNL     1      12.711  -1.857  -1.596  1.00  0.00           C  
HETATM   53  C   UNL     1       9.602   0.455   1.535  1.00  0.00           C  
HETATM   54  O   UNL     1       9.452   1.616   1.217  1.00  0.00           O  
HETATM   55  N   UNL     1      10.097   0.148   2.750  1.00  0.00           N  
HETATM   56  C   UNL     1      10.399   1.213   3.709  1.00  0.00           C  
HETATM   57  C   UNL     1      10.334  -1.252   3.111  1.00  0.00           C  
HETATM   58  H   UNL     1      -8.434   2.936   0.341  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.820   1.419  -0.502  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.981   1.331   2.396  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.646   1.803   1.982  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.092  -0.818   1.229  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.230   0.142   1.605  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.815  -2.226   1.276  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.041  -3.897   0.928  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.771  -4.093  -1.046  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.338  -2.373  -0.927  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.448  -4.641  -0.177  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.477  -3.875  -1.782  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.492   3.046  -1.244  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.114   2.770  -1.351  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.196   0.482   0.595  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.071   1.332  -0.360  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.439   2.956   0.267  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.633   3.400   1.377  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.828   2.091   1.540  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.097   0.433   1.951  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.902   1.742   1.788  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.292   0.877   3.060  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.659   2.502   3.688  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.236   2.008   3.861  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.535   3.351   2.732  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.162  -1.766  -3.016  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.925  -1.793  -2.683  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.900   0.196   0.214  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.574  -2.264  -0.618  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.660  -2.014   0.784  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.383  -3.581  -1.393  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.308   0.048   0.326  1.00  0.00           H  
HETATM   90  H   UNL     1       0.948   0.491  -2.272  1.00  0.00           H  
HETATM   91  H   UNL     1       1.716   2.794  -1.622  1.00  0.00           H  
HETATM   92  H   UNL     1       0.627   2.722  -0.216  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.309   2.399  -1.731  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.221   2.470  -3.137  1.00  0.00           H  
HETATM   95  H   UNL     1       0.458   4.768  -2.496  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.303   4.665  -2.737  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.631   4.696  -1.089  1.00  0.00           H  
HETATM   98  H   UNL     1       4.452  -0.207   0.491  1.00  0.00           H  
HETATM   99  H   UNL     1       5.925  -0.259  -1.918  1.00  0.00           H  
HETATM  100  H   UNL     1       6.062   1.369  -1.212  1.00  0.00           H  
HETATM  101  H   UNL     1       8.490   0.200  -1.230  1.00  0.00           H  
HETATM  102  H   UNL     1       8.836  -1.494   1.123  1.00  0.00           H  
HETATM  103  H   UNL     1      10.502   0.686  -1.411  1.00  0.00           H  
HETATM  104  H   UNL     1      10.663  -2.917   0.866  1.00  0.00           H  
HETATM  105  H   UNL     1      12.508  -0.012  -2.656  1.00  0.00           H  
HETATM  106  H   UNL     1      12.667  -3.616  -0.382  1.00  0.00           H  
HETATM  107  H   UNL     1      13.590  -2.164  -2.143  1.00  0.00           H  
HETATM  108  H   UNL     1      10.160   2.180   3.266  1.00  0.00           H  
HETATM  109  H   UNL     1       9.803   1.069   4.611  1.00  0.00           H  
HETATM  110  H   UNL     1      11.458   1.182   3.965  1.00  0.00           H  
HETATM  111  H   UNL     1      11.351  -1.532   2.836  1.00  0.00           H  
HETATM  112  H   UNL     1      10.202  -1.377   4.186  1.00  0.00           H  
HETATM  113  H   UNL     1       9.626  -1.889   2.582  1.00  0.00           H  
CONECT    1    2    9   58   59                                       
CONECT    2    1    3   60   61                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3    6    6   62                                       
CONECT    5    3    3    7   63                                       
CONECT    6    4    4    8   11                                       
CONECT    7    5    8    8   64                                       
CONECT    8    6    7    7   65                                       
CONECT    9    1   10   10   15                                       
CONECT   10    9    9                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   66   67                                       
CONECT   13   12   14   68   69                                       
CONECT   14   13   29                                                 
CONECT   15    9   16   70                                            
CONECT   16   15   17   23   71                                       
CONECT   17   16   18   19   72                                       
CONECT   18   17   20   73   74                                       
CONECT   19   17   21   75   76                                       
CONECT   20   18   22   77   78                                       
CONECT   21   19   22   79   80                                       
CONECT   22   20   21   81   82                                       
CONECT   23   16   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   27                                            
CONECT   26   25   29   83   84                                       
CONECT   27   25   28   30   85                                       
CONECT   28   27   29   86   87                                       
CONECT   29   14   26   28   88                                       
CONECT   30   27   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   89                                            
CONECT   33   32   34   38   90                                       
CONECT   34   33   35   91   92                                       
CONECT   35   34   36   93   94                                       
CONECT   36   35   95   96   97                                       
CONECT   37   38   38                                                 
CONECT   38   33   37   37   44                                       
CONECT   39   44   44                                                 
CONECT   40   41   44   98                                            
CONECT   41   40   42   99  100                                       
CONECT   42   41   43   43   45                                       
CONECT   43   42   42                                                 
CONECT   44   38   39   39   40                                       
CONECT   45   42   46  101                                            
CONECT   46   45   47   53  102                                       
CONECT   47   46   48   49   49                                       
CONECT   48   47   50   50  103                                       
CONECT   49   47   47   51  104                                       
CONECT   50   48   48   52  105                                       
CONECT   51   49   52   52  106                                       
CONECT   52   50   51   51  107                                       
CONECT   53   46   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   56   57                                            
CONECT   56   55  108  109  110                                       
CONECT   57   55  111  112  113                                       
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   56                                                      
CONECT  109   56                                                      
CONECT  110   56                                                      
CONECT  111   57                                                      
CONECT  112   57                                                      
CONECT  113   57                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
