COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.984   4.408   2.120  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.127   5.516   2.230  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.492   6.553   3.106  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.235   4.148   0.804  1.00  0.00           C  
HETATM    5  N   UNL     1      -8.627   6.437   3.786  1.00  0.00           N  
HETATM    6  N   UNL     1      -9.103   4.383   2.837  1.00  0.00           N  
HETATM    7  C   UNL     1      -7.919   2.269   0.769  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.402   5.376   3.649  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.859   2.456  -0.443  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.567   1.231  -1.338  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.485   0.448  -0.561  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.472  -0.163  -1.531  1.00  0.00           C  
HETATM   13  C   UNL     1      11.630   3.981  -3.052  1.00  0.00           C  
HETATM   14  C   UNL     1      10.605   3.217  -2.264  1.00  0.00           C  
HETATM   15  C   UNL     1      10.893   2.512  -1.173  1.00  0.00           C  
HETATM   16  C   UNL     1      12.274   2.409  -0.597  1.00  0.00           C  
HETATM   17  C   UNL     1      13.319   2.844  -1.623  1.00  0.00           C  
HETATM   18  C   UNL     1      12.890   4.190  -2.211  1.00  0.00           C  
HETATM   19  C   UNL     1       9.839   1.824  -0.519  1.00  0.00           C  
HETATM   20  C   UNL     1      14.680   2.991  -0.940  1.00  0.00           C  
HETATM   21  C   UNL     1      12.551   0.956  -0.164  1.00  0.00           C  
HETATM   22  C   UNL     1      12.839   1.091   1.349  1.00  0.00           C  
HETATM   23  C   UNL     1      13.111   2.574   1.527  1.00  0.00           C  
HETATM   24  C   UNL     1       7.921  -0.054   0.013  1.00  0.00           C  
HETATM   25  C   UNL     1       7.201  -1.341  -0.394  1.00  0.00           C  
HETATM   26  C   UNL     1       5.411  -2.762   0.451  1.00  0.00           C  
HETATM   27  C   UNL     1       4.357  -3.094   1.477  1.00  0.00           C  
HETATM   28  C   UNL     1       3.637  -4.380   1.069  1.00  0.00           C  
HETATM   29  C   UNL     1       1.847  -5.801   1.914  1.00  0.00           C  
HETATM   30  C   UNL     1       0.714  -6.068   2.872  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.406  -5.053   2.633  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.823  -5.091   1.161  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.608  -5.403   3.512  1.00  0.00           C  
HETATM   34  C   UNL     1       0.094  -3.651   2.985  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.687   7.668   3.256  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.079   5.293   1.401  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.396   3.563   1.214  1.00  0.00           N  
HETATM   38  N   UNL     1       6.177  -1.663   0.603  1.00  0.00           N  
HETATM   39  N   UNL     1       2.612  -4.703   2.066  1.00  0.00           N  
HETATM   40  O   UNL     1     -10.224   2.455  -0.022  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.744   0.436  -1.497  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.847   1.435   0.278  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.549  -0.978  -0.804  1.00  0.00           O  
HETATM   44  O   UNL     1       9.324   3.246  -2.686  1.00  0.00           O  
HETATM   45  O   UNL     1       9.384   2.256   0.525  1.00  0.00           O  
HETATM   46  O   UNL     1      13.844   3.075   2.346  1.00  0.00           O  
HETATM   47  O   UNL     1      12.383   3.226   0.601  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.868  -4.143   0.938  1.00  0.00           O  
HETATM   49  O   UNL     1      -3.591  -2.688  -0.414  1.00  0.00           O  
HETATM   50  O   UNL     1       5.569  -3.484  -0.510  1.00  0.00           O  
HETATM   51  O   UNL     1       2.069  -6.575   1.008  1.00  0.00           O  
HETATM   52  O   UNL     1       0.212  -7.390   2.660  1.00  0.00           O  
HETATM   53  O   UNL     1      -3.332  -5.250  -0.945  1.00  0.00           O  
HETATM   54  O   UNL     1      -1.504  -3.601  -1.500  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.884  -2.642  -2.582  1.00  0.00           O  
HETATM   56  O   UNL     1      -3.299  -0.727  -2.140  1.00  0.00           O  
HETATM   57  O   UNL     1     -10.928   1.474  -3.602  1.00  0.00           O  
HETATM   58  O   UNL     1      -9.373  -0.503  -3.810  1.00  0.00           O  
HETATM   59  O   UNL     1     -11.625  -0.912  -2.745  1.00  0.00           O  
HETATM   60  P   UNL     1      -2.551  -3.914  -0.502  1.00  0.00           P  
HETATM   61  P   UNL     1      -4.343  -1.778  -1.508  1.00  0.00           P  
HETATM   62  P   UNL     1     -10.395   0.110  -2.933  1.00  0.00           P  
HETATM   63  S   UNL     1       9.187   0.344  -1.218  1.00  0.00           S  
HETATM   64  H   UNL     1      -5.546   3.723   0.089  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.443   1.771   1.585  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.318   5.324   4.218  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.622   3.380  -0.971  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.186   1.549  -2.308  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.944  -0.331   0.048  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.996  -0.775  -2.266  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.930   0.633  -2.040  1.00  0.00           H  
HETATM   72  H   UNL     1      11.883   3.422  -3.952  1.00  0.00           H  
HETATM   73  H   UNL     1      11.219   4.951  -3.332  1.00  0.00           H  
HETATM   74  H   UNL     1      13.384   2.101  -2.418  1.00  0.00           H  
HETATM   75  H   UNL     1      13.687   4.584  -2.842  1.00  0.00           H  
HETATM   76  H   UNL     1      12.679   4.891  -1.403  1.00  0.00           H  
HETATM   77  H   UNL     1      14.974   2.034  -0.507  1.00  0.00           H  
HETATM   78  H   UNL     1      15.424   3.301  -1.674  1.00  0.00           H  
HETATM   79  H   UNL     1      14.612   3.741  -0.152  1.00  0.00           H  
HETATM   80  H   UNL     1      11.676   0.329  -0.336  1.00  0.00           H  
HETATM   81  H   UNL     1      13.419   0.557  -0.690  1.00  0.00           H  
HETATM   82  H   UNL     1      11.970   0.788   1.933  1.00  0.00           H  
HETATM   83  H   UNL     1      13.712   0.502   1.627  1.00  0.00           H  
HETATM   84  H   UNL     1       7.202   0.762   0.072  1.00  0.00           H  
HETATM   85  H   UNL     1       8.393  -0.194   0.986  1.00  0.00           H  
HETATM   86  H   UNL     1       6.729  -1.201  -1.367  1.00  0.00           H  
HETATM   87  H   UNL     1       7.920  -2.158  -0.453  1.00  0.00           H  
HETATM   88  H   UNL     1       4.828  -3.233   2.450  1.00  0.00           H  
HETATM   89  H   UNL     1       3.638  -2.277   1.535  1.00  0.00           H  
HETATM   90  H   UNL     1       3.165  -4.241   0.097  1.00  0.00           H  
HETATM   91  H   UNL     1       4.356  -5.197   1.011  1.00  0.00           H  
HETATM   92  H   UNL     1       1.075  -5.977   3.896  1.00  0.00           H  
HETATM   93  H   UNL     1       0.034  -4.842   0.534  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.178  -6.090   0.910  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.335  -5.292   4.562  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.436  -4.734   3.279  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.909  -6.433   3.323  1.00  0.00           H  
HETATM   98  H   UNL     1       0.885  -3.362   2.293  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.731  -2.942   2.910  1.00  0.00           H  
HETATM  100  H   UNL     1       0.483  -3.649   4.004  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.860   7.741   2.754  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.949   8.377   3.864  1.00  0.00           H  
HETATM  103  H   UNL     1       6.050  -1.086   1.372  1.00  0.00           H  
HETATM  104  H   UNL     1       2.486  -4.126   2.835  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.448   3.169   0.591  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.126  -7.543   1.767  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.034  -5.515  -0.336  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.904  -0.127  -1.493  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.602   1.931  -3.080  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.065  -1.153  -3.572  1.00  0.00           H  
HETATM  111  H   UNL     1       9.135   3.764  -3.481  1.00  0.00           H  
CONECT    1    6   37    2    2                                       
CONECT    2    1    1    3   36                                       
CONECT    3    5    5    2   35                                       
CONECT    4   37   36   36   64                                       
CONECT    5    8    3    3                                            
CONECT    6    8    8    1                                            
CONECT    7    9   37   42   65                                       
CONECT    8    6    6    5   66                                       
CONECT    9   40    7   10   67                                       
CONECT   10   41    9   11   68                                       
CONECT   11   10   42   12   69                                       
CONECT   12   11   43   70   71                                       
CONECT   13   14   18   72   73                                       
CONECT   14   15   15   44   13                                       
CONECT   15   19   16   14   14                                       
CONECT   16   47   15   21   17                                       
CONECT   17   16   20   18   74                                       
CONECT   18   17   13   75   76                                       
CONECT   19   45   45   63   15                                       
CONECT   20   17   77   78   79                                       
CONECT   21   22   16   80   81                                       
CONECT   22   23   21   82   83                                       
CONECT   23   46   46   47   22                                       
CONECT   24   25   63   84   85                                       
CONECT   25   38   24   86   87                                       
CONECT   26   27   38   50   50                                       
CONECT   27   28   26   88   89                                       
CONECT   28   39   27   90   91                                       
CONECT   29   30   39   51   51                                       
CONECT   30   31   52   29   92                                       
CONECT   31   32   30   33   34                                       
CONECT   32   48   31   93   94                                       
CONECT   33   31   95   96   97                                       
CONECT   34   31   98   99  100                                       
CONECT   35    3  101  102                                            
CONECT   36    2    4    4                                            
CONECT   37    1    7    4                                            
CONECT   38   26   25  103                                            
CONECT   39   29   28  104                                            
CONECT   40    9  105                                                 
CONECT   41   62   10                                                 
CONECT   42    7   11                                                 
CONECT   43   12   61                                                 
CONECT   44   14  111                                                 
CONECT   45   19   19                                                 
CONECT   46   23   23                                                 
CONECT   47   23   16                                                 
CONECT   48   60   32                                                 
CONECT   49   61   60                                                 
CONECT   50   26   26                                                 
CONECT   51   29   29                                                 
CONECT   52   30  106                                                 
CONECT   53   60  107                                                 
CONECT   54   60   60                                                 
CONECT   55   61   61                                                 
CONECT   56   61  108                                                 
CONECT   57   62  109                                                 
CONECT   58   62   62                                                 
CONECT   59   62  110                                                 
CONECT   60   54   54   53   49                                       
CONECT   60   48                                                      
CONECT   61   43   55   55   56                                       
CONECT   61   49                                                      
CONECT   62   58   58   57   41                                       
CONECT   62   59                                                      
CONECT   63   24   19                                                 
CONECT   64    4                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   30                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   35                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   52                                                      
CONECT  107   53                                                      
CONECT  108   56                                                      
CONECT  109   57                                                      
CONECT  110   59                                                      
CONECT  111   44                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
