COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.163  -0.763   0.798  1.00  0.00           C  
HETATM    2  C   UNL     1       3.978  -0.503  -0.135  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.383   0.531  -1.332  1.00  0.00           C  
HETATM    4  C   UNL     1       3.839   1.002  -0.375  1.00  0.00           C  
HETATM    5  C   UNL     1       2.583   1.272  -1.205  1.00  0.00           C  
HETATM    6  C   UNL     1       1.344   0.886  -0.395  1.00  0.00           C  
HETATM    7  C   UNL     1       0.091   1.092  -1.249  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.135   0.590  -0.485  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.400   0.909  -1.285  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.633   0.519  -0.466  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.892   0.721  -1.312  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.112   0.216  -0.540  1.00  0.00           C  
HETATM   13  C   UNL     1       5.042  -4.342   1.954  1.00  0.00           C  
HETATM   14  C   UNL     1       5.610  -4.528   0.528  1.00  0.00           C  
HETATM   15  C   UNL     1       6.107  -3.103   0.199  1.00  0.00           C  
HETATM   16  C   UNL     1       5.942   2.506  -0.579  1.00  0.00           C  
HETATM   17  C   UNL     1       5.387   1.070  -2.318  1.00  0.00           C  
HETATM   18  C   UNL     1       6.651   1.779  -2.752  1.00  0.00           C  
HETATM   19  C   UNL     1       7.216   2.382  -1.445  1.00  0.00           C  
HETATM   20  C   UNL     1       1.360   1.220   2.177  1.00  0.00           C  
HETATM   21  C   UNL     1       0.794   2.346   3.071  1.00  0.00           C  
HETATM   22  C   UNL     1       1.039   3.597   2.197  1.00  0.00           C  
HETATM   23  C   UNL     1       1.087   3.059   0.784  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.951  -1.753  -1.294  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.846  -3.154  -0.733  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.458  -2.941   0.749  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.003  -1.521   1.017  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.686   0.847   2.106  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.220   1.999   2.985  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.877   3.237   2.125  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.810   2.700   0.712  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.962  -1.893   0.962  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.927  -2.127  -1.349  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.814  -3.527  -0.788  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.415  -3.312   0.691  1.00  0.00           C  
HETATM   36  C   UNL     1       4.690  -2.872   2.024  1.00  0.00           C  
HETATM   37  N   UNL     1       5.296  -2.204   1.028  1.00  0.00           N  
HETATM   38  N   UNL     1       5.016   1.492  -1.097  1.00  0.00           N  
HETATM   39  N   UNL     1       1.262   1.726   0.803  1.00  0.00           N  
HETATM   40  N   UNL     1      -1.032  -0.859  -0.293  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.709   1.360   0.731  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.003  -1.232  -0.348  1.00  0.00           N  
HETATM   43  O   UNL     1       4.794   0.242  -2.976  1.00  0.00           O  
HETATM   44  O   UNL     1       0.982   3.731  -0.220  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.956  -1.476  -2.474  1.00  0.00           O  
HETATM   46  O   UNL     1       3.967  -2.370   2.859  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.844   3.380  -0.292  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.945  -1.851  -2.530  1.00  0.00           O  
HETATM   49  H   UNL     1       6.076  -0.382   0.340  1.00  0.00           H  
HETATM   50  H   UNL     1       4.995  -0.258   1.749  1.00  0.00           H  
HETATM   51  H   UNL     1       4.147  -1.008  -1.086  1.00  0.00           H  
HETATM   52  H   UNL     1       3.065  -0.884   0.322  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.337   0.038  -2.303  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.252   0.171  -0.782  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.464   1.608  -1.475  1.00  0.00           H  
HETATM   56  H   UNL     1       3.760   1.517   0.582  1.00  0.00           H  
HETATM   57  H   UNL     1       2.536   2.331  -1.459  1.00  0.00           H  
HETATM   58  H   UNL     1       2.618   0.681  -2.120  1.00  0.00           H  
HETATM   59  H   UNL     1       1.414  -0.161  -0.100  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.027   2.153  -1.470  1.00  0.00           H  
HETATM   61  H   UNL     1       0.192   0.536  -2.181  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.186   1.082   0.486  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.432   1.976  -1.504  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.391   0.346  -2.218  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.558  -0.527  -0.171  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.015   1.782  -1.533  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.796   0.165  -2.245  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.157   0.709   0.431  1.00  0.00           H  
HETATM   69  H   UNL     1       4.151  -4.954   2.093  1.00  0.00           H  
HETATM   70  H   UNL     1       5.794  -4.590   2.703  1.00  0.00           H  
HETATM   71  H   UNL     1       6.436  -5.240   0.527  1.00  0.00           H  
HETATM   72  H   UNL     1       4.829  -4.840  -0.165  1.00  0.00           H  
HETATM   73  H   UNL     1       7.162  -3.003   0.455  1.00  0.00           H  
HETATM   74  H   UNL     1       5.953  -2.885  -0.858  1.00  0.00           H  
HETATM   75  H   UNL     1       6.175   2.306   0.466  1.00  0.00           H  
HETATM   76  H   UNL     1       5.510   3.501  -0.686  1.00  0.00           H  
HETATM   77  H   UNL     1       7.358   1.070  -3.182  1.00  0.00           H  
HETATM   78  H   UNL     1       6.419   2.567  -3.469  1.00  0.00           H  
HETATM   79  H   UNL     1       7.661   3.360  -1.627  1.00  0.00           H  
HETATM   80  H   UNL     1       7.936   1.706  -0.984  1.00  0.00           H  
HETATM   81  H   UNL     1       2.401   1.023   2.433  1.00  0.00           H  
HETATM   82  H   UNL     1       0.765   0.314   2.289  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.271   2.200   3.254  1.00  0.00           H  
HETATM   84  H   UNL     1       1.344   2.412   4.010  1.00  0.00           H  
HETATM   85  H   UNL     1       0.219   4.306   2.307  1.00  0.00           H  
HETATM   86  H   UNL     1       1.987   4.066   2.459  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.806  -3.667  -0.805  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.072  -3.717  -1.253  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.947  -3.674   1.390  1.00  0.00           H  
HETATM   90  H   UNL     1       0.624  -2.975   0.877  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.008  -1.575   1.434  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.341  -0.985   1.697  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.667   0.592   2.396  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.333  -0.026   2.195  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.296   1.912   3.131  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.699   2.033   3.942  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.660   3.990   2.210  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.914   3.654   2.422  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.964  -1.950   1.386  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.296  -1.354   1.636  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.772  -4.042  -0.853  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.043  -4.089  -1.315  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.332  -3.342   0.811  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.898  -4.046   1.336  1.00  0.00           H  
CONECT    1   37    2   49   50                                       
CONECT    2    1    4   51   52                                       
CONECT    3   12   53   54   55                                       
CONECT    4    2    5   38   56                                       
CONECT    5    4    6   57   58                                       
CONECT    6    5   39    7   59                                       
CONECT    7    6    8   60   61                                       
CONECT    8    9    7   40   62                                       
CONECT    9   10    8   63   64                                       
CONECT   10   11    9   41   65                                       
CONECT   11   12   10   66   67                                       
CONECT   12    3   42   11   68                                       
CONECT   13   14   36   69   70                                       
CONECT   14   15   13   71   72                                       
CONECT   15   14   37   73   74                                       
CONECT   16   38   19   75   76                                       
CONECT   17   38   43   43   18                                       
CONECT   18   19   17   77   78                                       
CONECT   19   16   18   79   80                                       
CONECT   20   21   39   81   82                                       
CONECT   21   20   22   83   84                                       
CONECT   22   21   23   85   86                                       
CONECT   23   39   22   44   44                                       
CONECT   24   45   45   40   25                                       
CONECT   25   24   26   87   88                                       
CONECT   26   25   27   89   90                                       
CONECT   27   40   26   91   92                                       
CONECT   28   41   29   93   94                                       
CONECT   29   28   30   95   96                                       
CONECT   30   31   29   97   98                                       
CONECT   31   41   47   47   30                                       
CONECT   32   35   42   99  100                                       
CONECT   33   34   42   48   48                                       
CONECT   34   35   33  101  102                                       
CONECT   35   32   34  103  104                                       
CONECT   36   13   37   46   46                                       
CONECT   37   15    1   36                                            
CONECT   38    4   16   17                                            
CONECT   39   20    6   23                                            
CONECT   40    8   24   27                                            
CONECT   41   10   28   31                                            
CONECT   42   32   12   33                                            
CONECT   43   17   17                                                 
CONECT   44   23   23                                                 
CONECT   45   24   24                                                 
CONECT   46   36   36                                                 
CONECT   47   31   31                                                 
CONECT   48   33   33                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   22                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   26                                                      
CONECT   91   27                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   28                                                      
CONECT   95   29                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
