COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.362  -6.694  -1.777  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.449  -5.566  -2.202  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.963  -5.347  -3.423  1.00  0.00           O  
HETATM    4  C   UNL     1       0.014  -4.405  -1.360  1.00  0.00           C  
HETATM    5  C   UNL     1       0.546  -4.925  -0.023  1.00  0.00           C  
HETATM    6  C   UNL     1       1.009  -3.764   0.819  1.00  0.00           C  
HETATM    7  C   UNL     1       0.259  -3.064   1.694  1.00  0.00           C  
HETATM    8  N   UNL     1       1.042  -2.095   2.246  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.193  -3.314   2.010  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.006  -2.109   1.612  1.00  0.00           C  
HETATM   11  C   UNL     1       2.306  -3.214   0.840  1.00  0.00           C  
HETATM   12  C   UNL     1       3.485  -3.678   0.024  1.00  0.00           C  
HETATM   13  C   UNL     1       3.456  -3.008  -1.325  1.00  0.00           C  
HETATM   14  O   UNL     1       2.622  -2.166  -1.564  1.00  0.00           O  
HETATM   15  O   UNL     1       4.356  -3.346  -2.262  1.00  0.00           O  
HETATM   16  C   UNL     1       2.297  -2.195   1.724  1.00  0.00           C  
HETATM   17  C   UNL     1       3.475  -1.325   2.081  1.00  0.00           C  
HETATM   18  C   UNL     1       3.251   0.067   1.550  1.00  0.00           C  
HETATM   19  N   UNL     1       2.328   0.959   2.009  1.00  0.00           N  
HETATM   20  C   UNL     1       3.929   0.645   0.537  1.00  0.00           C  
HETATM   21  C   UNL     1       5.033   0.014  -0.272  1.00  0.00           C  
HETATM   22  C   UNL     1       6.382   0.310   0.387  1.00  0.00           C  
HETATM   23  C   UNL     1       7.491  -0.255  -0.462  1.00  0.00           C  
HETATM   24  O   UNL     1       7.238  -0.751  -1.535  1.00  0.00           O  
HETATM   25  O   UNL     1       8.760  -0.208  -0.027  1.00  0.00           O  
HETATM   26  C   UNL     1       3.414   1.946   0.375  1.00  0.00           C  
HETATM   27  C   UNL     1       3.868   2.964  -0.640  1.00  0.00           C  
HETATM   28  C   UNL     1       4.884   3.882  -0.011  1.00  0.00           C  
HETATM   29  O   UNL     1       5.409   4.891  -0.723  1.00  0.00           O  
HETATM   30  O   UNL     1       5.227   3.710   1.135  1.00  0.00           O  
HETATM   31  C   UNL     1       2.441   2.114   1.293  1.00  0.00           C  
HETATM   32  C   UNL     1       1.627   3.365   1.498  1.00  0.00           C  
HETATM   33  C   UNL     1       0.174   3.077   1.229  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.606   2.187   1.906  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.582   3.657   0.274  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.123   4.695  -0.718  1.00  0.00           C  
HETATM   37  C   UNL     1       0.301   4.017  -1.995  1.00  0.00           C  
HETATM   38  O   UNL     1       0.847   4.737  -2.988  1.00  0.00           O  
HETATM   39  O   UNL     1       0.149   2.826  -2.126  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.878   3.114   0.373  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.061   3.466  -0.492  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.766   4.695   0.084  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.879   5.115  -0.841  1.00  0.00           C  
HETATM   44  O   UNL     1      -5.569   6.240  -0.594  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.150   4.440  -1.806  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.865   2.221   1.384  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.042   1.410   1.859  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.813  -0.046   1.545  1.00  0.00           C  
HETATM   49  N   UNL     1      -1.911  -0.863   2.159  1.00  0.00           N  
HETATM   50  C   UNL     1      -3.463  -0.765   0.608  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.953  -2.077   0.652  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.385  -3.231  -0.215  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.515  -3.968   0.456  1.00  0.00           C  
HETATM   54  O   UNL     1      -4.928  -3.594   1.528  1.00  0.00           O  
HETATM   55  O   UNL     1      -5.063  -5.040  -0.138  1.00  0.00           O  
HETATM   56  C   UNL     1      -4.541  -0.257  -0.315  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.912  -0.514   0.312  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.983   0.102  -0.552  1.00  0.00           C  
HETATM   59  O   UNL     1      -6.690   0.601  -1.613  1.00  0.00           O  
HETATM   60  O   UNL     1      -8.261   0.096  -0.143  1.00  0.00           O  
HETATM   61  H   UNL     1      -1.250  -6.123  -3.924  1.00  0.00           H  
HETATM   62  H   UNL     1       0.806  -3.870  -1.883  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.823  -3.730  -1.181  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.247  -5.460   0.500  1.00  0.00           H  
HETATM   65  H   UNL     1       1.383  -5.600  -0.203  1.00  0.00           H  
HETATM   66  H   UNL     1       0.754  -1.441   2.902  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.541  -4.186   1.457  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.307  -3.492   3.080  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.302  -0.602   2.867  1.00  0.00           H  
HETATM   70  H   UNL     1       4.409  -3.417   0.540  1.00  0.00           H  
HETATM   71  H   UNL     1       3.434  -4.759  -0.106  1.00  0.00           H  
HETATM   72  H   UNL     1       4.346  -2.837  -3.084  1.00  0.00           H  
HETATM   73  H   UNL     1       3.583  -1.288   3.165  1.00  0.00           H  
HETATM   74  H   UNL     1       4.380  -1.741   1.639  1.00  0.00           H  
HETATM   75  H   UNL     1       1.695   0.799   2.726  1.00  0.00           H  
HETATM   76  H   UNL     1       4.880  -1.064  -0.317  1.00  0.00           H  
HETATM   77  H   UNL     1       5.024   0.425  -1.282  1.00  0.00           H  
HETATM   78  H   UNL     1       6.510   1.389   0.482  1.00  0.00           H  
HETATM   79  H   UNL     1       6.411  -0.147   1.376  1.00  0.00           H  
HETATM   80  H   UNL     1       9.437  -0.584  -0.607  1.00  0.00           H  
HETATM   81  H   UNL     1       4.317   2.454  -1.491  1.00  0.00           H  
HETATM   82  H   UNL     1       3.011   3.548  -0.977  1.00  0.00           H  
HETATM   83  H   UNL     1       6.057   5.453  -0.277  1.00  0.00           H  
HETATM   84  H   UNL     1       1.745   3.710   2.525  1.00  0.00           H  
HETATM   85  H   UNL     1       1.975   4.140   0.814  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.313   1.622   2.638  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.941   5.385  -0.927  1.00  0.00           H  
HETATM   88  H   UNL     1       0.720   5.247  -0.302  1.00  0.00           H  
HETATM   89  H   UNL     1       1.103   4.259  -3.788  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.720   3.683  -1.504  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.756   2.626  -0.516  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.179   4.452   1.063  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.050   5.511   0.184  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.223   6.508  -1.254  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.158   1.535   2.935  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.946   1.752   1.355  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.408   0.813  -0.475  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.475  -0.778  -1.271  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.719  -2.855  -1.182  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.544  -3.910  -0.361  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.786  -5.480   0.331  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.082  -1.588   0.389  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.947  -0.068   1.306  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.922   0.435  -0.763  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   61                                                 
CONECT    4    2    5   62   63                                       
CONECT    5    4    6   64   65                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   16   66                                            
CONECT    9    7   10   67   68                                       
CONECT   10    9   49   51   51                                       
CONECT   11    6   12   16   16                                       
CONECT   12   11   13   70   71                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   72                                                 
CONECT   16    8   11   11   17                                       
CONECT   17   16   18   73   74                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   31   75                                            
CONECT   20   18   18   21   26                                       
CONECT   21   20   22   76   77                                       
CONECT   22   21   23   78   79                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   80                                                 
CONECT   26   20   27   31   31                                       
CONECT   27   26   28   81   82                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28   83                                                 
CONECT   30   28   28                                                 
CONECT   31   19   26   26   32                                       
CONECT   32   31   33   84   85                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   46   86                                            
CONECT   35   33   33   36   40                                       
CONECT   36   35   37   87   88                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37   89                                                 
CONECT   39   37   37                                                 
CONECT   40   35   41   46   46                                       
CONECT   41   40   42   90   91                                       
CONECT   42   41   43   92   93                                       
CONECT   43   42   44   45   45                                       
CONECT   44   43   94                                                 
CONECT   45   43   43                                                 
CONECT   46   34   40   40   47                                       
CONECT   47   46   48   95   96                                       
CONECT   48   47   49   50   50                                       
CONECT   49   10   48   69                                            
CONECT   50   48   48   51   56                                       
CONECT   51   10   10   50   52                                       
CONECT   52   51   53   99  100                                       
CONECT   53   52   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53  101                                                 
CONECT   56   50   57   97   98                                       
CONECT   57   56   58  102  103                                       
CONECT   58   57   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   58  104                                                 
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   49                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   29                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   38                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   44                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   56                                                      
CONECT   98   56                                                      
CONECT   99   52                                                      
CONECT  100   52                                                      
CONECT  101   55                                                      
CONECT  102   57                                                      
CONECT  103   57                                                      
CONECT  104   60                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
