COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.200   1.967  -2.226  1.00  0.00           O  
HETATM    2  O   UNL     1      -2.874   1.776  -1.312  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.299   1.840  -1.425  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.015   1.790  -1.839  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.020   1.576  -0.961  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.251   1.149   0.291  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.612   0.773   0.706  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.594   1.743   0.045  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.543   3.142   0.680  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.609   4.049  -0.079  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.847   4.327  -1.412  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.990   5.158  -2.109  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.894   5.712  -1.472  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.657   5.434  -0.139  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.516   4.607   0.559  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.016   3.595   0.517  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.800   2.300   0.449  1.00  0.00           C  
HETATM   18  O   UNL     1     -10.007   2.212   0.530  1.00  0.00           O  
HETATM   19  N   UNL     1      -7.963   1.265   0.285  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.259  -0.105   0.362  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.564  -0.552   0.448  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.821  -1.908   0.542  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.242  -2.402   0.635  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.773  -2.810   0.551  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.057  -4.286   0.663  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.468  -2.368   0.457  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.195  -1.009   0.353  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.870  -0.587   0.207  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.938  -1.553   0.804  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.574  -1.434   0.122  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.726  -1.639  -1.284  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.625  -2.490   0.692  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.473  -2.285   2.098  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.261  -2.371   0.009  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.412  -2.576  -1.397  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.312  -3.427   0.579  1.00  0.00           C  
HETATM   37  O   UNL     1       0.993  -3.242   0.027  1.00  0.00           O  
HETATM   38  P   UNL     1       2.247  -4.179   0.406  1.00  0.00           P  
HETATM   39  O   UNL     1       2.429  -4.188   1.875  1.00  0.00           O  
HETATM   40  O   UNL     1       1.972  -5.678  -0.111  1.00  0.00           O  
HETATM   41  O   UNL     1       3.577  -3.605  -0.295  1.00  0.00           O  
HETATM   42  P   UNL     1       5.153  -3.867  -0.090  1.00  0.00           P  
HETATM   43  O   UNL     1       5.449  -3.983   1.356  1.00  0.00           O  
HETATM   44  O   UNL     1       5.570  -5.232  -0.834  1.00  0.00           O  
HETATM   45  O   UNL     1       5.987  -2.639  -0.712  1.00  0.00           O  
HETATM   46  C   UNL     1       7.407  -2.525  -0.596  1.00  0.00           C  
HETATM   47  C   UNL     1       7.875  -1.247  -1.295  1.00  0.00           C  
HETATM   48  O   UNL     1       7.376  -0.096  -0.594  1.00  0.00           O  
HETATM   49  C   UNL     1       9.413  -1.169  -1.269  1.00  0.00           C  
HETATM   50  O   UNL     1       9.935  -1.134  -2.599  1.00  0.00           O  
HETATM   51  C   UNL     1       9.713   0.160  -0.534  1.00  0.00           C  
HETATM   52  O   UNL     1      10.793   0.856  -1.160  1.00  0.00           O  
HETATM   53  C   UNL     1       8.382   0.934  -0.707  1.00  0.00           C  
HETATM   54  N   UNL     1       8.222   1.929   0.356  1.00  0.00           N  
HETATM   55  C   UNL     1       7.616   1.732   1.561  1.00  0.00           C  
HETATM   56  N   UNL     1       7.652   2.829   2.261  1.00  0.00           N  
HETATM   57  C   UNL     1       8.282   3.796   1.552  1.00  0.00           C  
HETATM   58  C   UNL     1       8.660   3.229   0.324  1.00  0.00           C  
HETATM   59  N   UNL     1       9.308   3.980  -0.562  1.00  0.00           N  
HETATM   60  C   UNL     1       9.596   5.236  -0.294  1.00  0.00           C  
HETATM   61  N   UNL     1       9.264   5.811   0.848  1.00  0.00           N  
HETATM   62  C   UNL     1       8.607   5.143   1.790  1.00  0.00           C  
HETATM   63  N   UNL     1       8.265   5.754   2.984  1.00  0.00           N  
HETATM   64  H   UNL     1      -4.808   1.910  -2.779  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.518   1.087   0.924  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.704   0.806   1.791  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.263   3.086   1.732  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.702   3.895  -1.910  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.175   5.375  -3.150  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.224   6.361  -2.016  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.801   5.866   0.358  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.333   4.393   1.601  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.331   4.186   1.378  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.141   4.165  -0.403  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.380   0.156   0.443  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.630  -2.584  -0.368  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.268  -3.329   1.207  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.856  -1.651   1.131  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.175  -4.709  -0.334  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.227  -4.778   1.171  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.973  -4.437   1.234  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.656  -3.081   0.465  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.831  -1.344   1.869  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.325  -2.563   0.670  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.163  -0.441   0.302  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.158  -2.472  -1.516  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.036  -3.483   0.512  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.111  -1.419   2.332  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.850  -1.378   0.189  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.775  -3.442  -1.632  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.265  -3.326   1.663  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.677  -4.421   0.322  1.00  0.00           H  
HETATM   93  H   UNL     1       5.404  -5.228  -1.786  1.00  0.00           H  
HETATM   94  H   UNL     1       7.683  -2.485   0.458  1.00  0.00           H  
HETATM   95  H   UNL     1       7.880  -3.389  -1.062  1.00  0.00           H  
HETATM   96  H   UNL     1       7.518  -1.237  -2.325  1.00  0.00           H  
HETATM   97  H   UNL     1       9.829  -2.012  -0.718  1.00  0.00           H  
HETATM   98  H   UNL     1      10.895  -1.026  -2.642  1.00  0.00           H  
HETATM   99  H   UNL     1       9.927  -0.018   0.520  1.00  0.00           H  
HETATM  100  H   UNL     1      11.629   0.370  -1.157  1.00  0.00           H  
HETATM  101  H   UNL     1       8.338   1.408  -1.687  1.00  0.00           H  
HETATM  102  H   UNL     1       7.171   0.804   1.887  1.00  0.00           H  
HETATM  103  H   UNL     1      10.124   5.817  -1.035  1.00  0.00           H  
HETATM  104  H   UNL     1       7.795   5.252   3.668  1.00  0.00           H  
HETATM  105  H   UNL     1       8.495   6.684   3.136  1.00  0.00           H  
HETATM  106  H   UNL     1       1.843  -5.747  -1.066  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    5    5                                                 
CONECT    3    8    1    1    4                                       
CONECT    4    3    5   64                                            
CONECT    5    4    6    2    2                                       
CONECT    6    7    5   65                                            
CONECT    7    8   28    6   66                                       
CONECT    8    9   19    3    7                                       
CONECT    9   16   10    8   67                                       
CONECT   10   11    9   15   15                                       
CONECT   11   12   12   10   68                                       
CONECT   12   11   11   13   69                                       
CONECT   13   12   14   14   70                                       
CONECT   14   13   13   15   71                                       
CONECT   15   10   10   14   72                                       
CONECT   16   17    9   73   74                                       
CONECT   17   18   18   16   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20    8                                            
CONECT   20   21   19   27   27                                       
CONECT   21   22   22   20   75                                       
CONECT   22   23   21   21   24                                       
CONECT   23   22   76   77   78                                       
CONECT   24   22   26   26   25                                       
CONECT   25   24   79   80   81                                       
CONECT   26   27   24   24   82                                       
CONECT   27   20   20   26   28                                       
CONECT   28   27    7   29                                            
CONECT   29   28   30   83   84                                       
CONECT   30   29   31   32   85                                       
CONECT   31   30   86                                                 
CONECT   32   30   33   34   87                                       
CONECT   33   32   88                                                 
CONECT   34   32   35   36   89                                       
CONECT   35   34   90                                                 
CONECT   36   34   37   91   92                                       
CONECT   37   36   38                                                 
CONECT   38   37   40   41   39                                       
CONECT   38   39                                                      
CONECT   39   38   38                                                 
CONECT   40   38  106                                                 
CONECT   41   42   38                                                 
CONECT   42   43   43   44   41                                       
CONECT   42   45                                                      
CONECT   43   42   42                                                 
CONECT   44   42   93                                                 
CONECT   45   42   46                                                 
CONECT   46   45   47   94   95                                       
CONECT   47   46   49   48   96                                       
CONECT   48   47   53                                                 
CONECT   49   51   47   50   97                                       
CONECT   50   49   98                                                 
CONECT   51   49   52   53   99                                       
CONECT   52   51  100                                                 
CONECT   53   51   48   54  101                                       
CONECT   54   55   53   58                                            
CONECT   55   56   56   54  102                                       
CONECT   56   55   55   57                                            
CONECT   57   56   58   58   62                                       
CONECT   58   54   57   57   59                                       
CONECT   59   58   60   60                                            
CONECT   60   59   59   61  103                                       
CONECT   61   62   62   60                                            
CONECT   62   57   63   61   61                                       
CONECT   63   62  104  105                                            
CONECT   64    4                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    9                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   44                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   52                                                      
CONECT  101   53                                                      
CONECT  102   55                                                      
CONECT  103   60                                                      
CONECT  104   63                                                      
CONECT  105   63                                                      
CONECT  106   40                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
