COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.745  -1.318   0.128  1.00  0.00           C  
HETATM    2  C   UNL     1       4.734   2.161   0.376  1.00  0.00           C  
HETATM    3  C   UNL     1       3.597   4.247  -0.232  1.00  0.00           C  
HETATM    4  C   UNL     1       1.703   5.367   0.910  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.791   5.910  -0.539  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.884   5.304   0.305  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.713   4.336  -0.542  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.507   2.596  -0.447  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.107   0.165  -0.062  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.657  -2.229   0.367  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.966   1.364   0.343  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.474   3.372   0.370  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.230  -0.963   0.961  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.435   1.083   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1       3.588  -3.503   0.439  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.444  -0.612   2.226  1.00  0.00           C  
HETATM   17  C   UNL     1       4.177  -2.289   1.163  1.00  0.00           C  
HETATM   18  C   UNL     1       2.195  -3.822   0.981  1.00  0.00           C  
HETATM   19  C   UNL     1       2.641   4.159   0.926  1.00  0.00           C  
HETATM   20  C   UNL     1       0.330   5.006   0.356  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.472   6.287   0.086  1.00  0.00           C  
HETATM   22  C   UNL     1       1.563  -4.945   0.155  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.793  -3.587  -0.298  1.00  0.00           C  
HETATM   24  C   UNL     1       5.440  -0.147   0.823  1.00  0.00           C  
HETATM   25  C   UNL     1       0.320  -5.468   0.877  1.00  0.00           C  
HETATM   26  C   UNL     1       1.837   2.861   0.850  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.422  -3.320  -1.758  1.00  0.00           C  
HETATM   28  C   UNL     1       5.350   1.074  -0.065  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.559  -4.003   0.466  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.691  -3.020  -2.560  1.00  0.00           C  
HETATM   31  C   UNL     1       4.533   3.341  -0.470  1.00  0.00           C  
HETATM   32  C   UNL     1       1.053   2.671   2.150  1.00  0.00           C  
HETATM   33  C   UNL     1       5.966   1.031  -1.440  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.320  -2.753  -4.020  1.00  0.00           C  
HETATM   35  C   UNL     1       8.021   0.580  -2.589  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.882  -5.121   0.094  1.00  0.00           N  
HETATM   37  O   UNL     1      -3.326  -2.374   0.290  1.00  0.00           O  
HETATM   38  O   UNL     1       4.448  -4.628   0.632  1.00  0.00           O  
HETATM   39  O   UNL     1       3.167  -1.640   1.933  1.00  0.00           O  
HETATM   40  O   UNL     1       1.192  -4.445  -1.130  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.398  -3.091  -0.032  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.974   6.093  -1.719  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.182  -3.339   1.411  1.00  0.00           O  
HETATM   44  O   UNL     1       7.340   0.651  -1.335  1.00  0.00           O  
HETATM   45  H   UNL     1       5.465  -1.847  -0.497  1.00  0.00           H  
HETATM   46  H   UNL     1       3.932  -0.939  -0.494  1.00  0.00           H  
HETATM   47  H   UNL     1       4.348   2.160   1.392  1.00  0.00           H  
HETATM   48  H   UNL     1       3.515   5.095  -0.909  1.00  0.00           H  
HETATM   49  H   UNL     1       1.590   5.745   1.930  1.00  0.00           H  
HETATM   50  H   UNL     1       2.150   6.155   0.299  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.443   4.772   1.147  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.532   6.099   0.678  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.427   4.904  -1.140  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.057   3.771  -1.202  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.064   2.275  -1.389  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.369   3.233  -0.646  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.436  -0.202  -1.038  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.063   0.476  -0.140  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.864   1.564   1.407  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.771   2.674   0.828  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.982   3.938   1.151  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.276  -1.131   1.212  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.539   0.896  -1.054  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.770   0.208   0.572  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.040   1.945   0.294  1.00  0.00           H  
HETATM   66  H   UNL     1       3.518  -3.285  -0.628  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.841   0.308   2.657  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.538  -1.422   2.949  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.394  -0.470   1.973  1.00  0.00           H  
HETATM   70  H   UNL     1       4.981  -2.619   1.822  1.00  0.00           H  
HETATM   71  H   UNL     1       2.271  -4.140   2.021  1.00  0.00           H  
HETATM   72  H   UNL     1       1.564  -2.935   0.917  1.00  0.00           H  
HETATM   73  H   UNL     1       3.213   4.174   1.860  1.00  0.00           H  
HETATM   74  H   UNL     1       0.422   4.471  -0.587  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.226   4.411   1.082  1.00  0.00           H  
HETATM   76  H   UNL     1       0.090   6.913  -0.609  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.644   6.820   1.015  1.00  0.00           H  
HETATM   78  H   UNL     1       2.278  -5.759   0.034  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.533  -4.382  -0.250  1.00  0.00           H  
HETATM   80  H   UNL     1       4.951   0.063   1.771  1.00  0.00           H  
HETATM   81  H   UNL     1       6.488  -0.393   0.992  1.00  0.00           H  
HETATM   82  H   UNL     1       0.385  -6.554   0.972  1.00  0.00           H  
HETATM   83  H   UNL     1       0.259  -5.024   1.869  1.00  0.00           H  
HETATM   84  H   UNL     1       1.143   2.911   0.011  1.00  0.00           H  
HETATM   85  H   UNL     1       2.517   2.020   0.710  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.748  -2.465  -1.812  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.929  -4.198  -2.174  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.365  -3.874  -2.506  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.184  -2.141  -2.144  1.00  0.00           H  
HETATM   90  H   UNL     1       5.190   3.504  -1.324  1.00  0.00           H  
HETATM   91  H   UNL     1       1.739   2.702   2.997  1.00  0.00           H  
HETATM   92  H   UNL     1       0.316   3.468   2.250  1.00  0.00           H  
HETATM   93  H   UNL     1       0.544   1.707   2.130  1.00  0.00           H  
HETATM   94  H   UNL     1       5.435   0.304  -2.054  1.00  0.00           H  
HETATM   95  H   UNL     1       5.897   2.016  -1.901  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.646  -1.898  -4.074  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.827  -3.632  -4.436  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.223  -2.539  -4.591  1.00  0.00           H  
HETATM   99  H   UNL     1       9.058   0.285  -2.423  1.00  0.00           H  
HETATM  100  H   UNL     1       7.532  -0.156  -3.227  1.00  0.00           H  
HETATM  101  H   UNL     1       7.994   1.556  -3.073  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.173  -5.674  -0.649  1.00  0.00           H  
HETATM  103  H   UNL     1       4.146  -5.434   0.192  1.00  0.00           H  
HETATM  104  H   UNL     1       3.480  -0.864   2.417  1.00  0.00           H  
HETATM  105  H   UNL     1       0.784  -5.105  -1.707  1.00  0.00           H  
CONECT    1   24   17   45   46                                       
CONECT    2   31   28   28   47                                       
CONECT    3   19   31   31   48                                       
CONECT    4   20   19   49   50                                       
CONECT    5    6   21   42   42                                       
CONECT    6    7    5   51   52                                       
CONECT    7    6   12   53   54                                       
CONECT    8   11   12   55   56                                       
CONECT    9   13   11   57   58                                       
CONECT   10   13   37   41   41                                       
CONECT   11    9    8   14   59                                       
CONECT   12    7    8   60   61                                       
CONECT   13    9   16   10   62                                       
CONECT   14   11   63   64   65                                       
CONECT   15   18   17   38   66                                       
CONECT   16   13   67   68   69                                       
CONECT   17    1   15   39   70                                       
CONECT   18   22   15   71   72                                       
CONECT   19   26    4    3   73                                       
CONECT   20    4   21   74   75                                       
CONECT   21   20    5   76   77                                       
CONECT   22   25   18   40   78                                       
CONECT   23   37   27   29   79                                       
CONECT   24   28    1   80   81                                       
CONECT   25   36   22   82   83                                       
CONECT   26   32   19   84   85                                       
CONECT   27   30   23   86   87                                       
CONECT   28    2    2   33   24                                       
CONECT   29   23   43   43   36                                       
CONECT   30   34   27   88   89                                       
CONECT   31    3    3    2   90                                       
CONECT   32   26   91   92   93                                       
CONECT   33   44   28   94   95                                       
CONECT   34   30   96   97   98                                       
CONECT   35   44   99  100  101                                       
CONECT   36   29   25  102                                            
CONECT   37   10   23                                                 
CONECT   38   15  103                                                 
CONECT   39   17  104                                                 
CONECT   40   22  105                                                 
CONECT   41   10   10                                                 
CONECT   42    5    5                                                 
CONECT   43   29   29                                                 
CONECT   44   35   33                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   35                                                      
CONECT  101   35                                                      
CONECT  102   36                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
