COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.806   2.764   3.180  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.275  -1.901  -0.604  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.468  -0.721  -1.593  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.389  -0.794  -0.162  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.725  -2.172  -0.168  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.896  -3.014   1.093  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.456  -3.275  -0.929  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.835  -5.492   0.291  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.073  -6.396  -0.891  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.852  -7.069  -1.523  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.837  -7.895  -0.693  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.757  -8.860  -1.443  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.378  -8.361   0.690  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.792   1.387  -1.255  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.876   2.088  -0.543  1.00  0.00           C  
HETATM   16  C   UNL     1       2.408   0.767   1.841  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.830   1.501   0.319  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.836   4.967   0.442  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.304   4.887   0.110  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.214   4.527   1.086  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.560   4.454   0.782  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.997   4.741  -0.498  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.086   5.102  -1.474  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.740   5.179  -1.168  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.145   3.441  -0.587  1.00  0.00           C  
HETATM   26  C   UNL     1       4.148  -0.864   1.164  1.00  0.00           C  
HETATM   27  C   UNL     1       4.390  -2.306   0.712  1.00  0.00           C  
HETATM   28  C   UNL     1       5.866   0.456   0.139  1.00  0.00           C  
HETATM   29  C   UNL     1       6.131   1.406  -1.031  1.00  0.00           C  
HETATM   30  C   UNL     1       7.592   1.860  -0.998  1.00  0.00           C  
HETATM   31  C   UNL     1       7.890   2.710  -2.235  1.00  0.00           C  
HETATM   32  C   UNL     1       9.351   3.164  -2.202  1.00  0.00           C  
HETATM   33  C   UNL     1       2.670  -0.680   1.515  1.00  0.00           C  
HETATM   34  C   UNL     1       9.598   3.995  -0.941  1.00  0.00           C  
HETATM   35  C   UNL     1       9.300   3.145   0.296  1.00  0.00           C  
HETATM   36  C   UNL     1       7.839   2.691   0.263  1.00  0.00           C  
HETATM   37  C   UNL     1       0.575  -1.489   0.570  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.571   0.078  -1.025  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.028  -4.164   0.173  1.00  0.00           N  
HETATM   40  N   UNL     1       3.061   1.357   2.863  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.617   2.446   0.753  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.209   3.665   0.200  1.00  0.00           N  
HETATM   43  N   UNL     1       1.844  -1.081   0.373  1.00  0.00           N  
HETATM   44  O   UNL     1      -1.471  -5.960   1.349  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.099   1.990  -2.052  1.00  0.00           O  
HETATM   46  O   UNL     1       1.610   1.402   1.186  1.00  0.00           O  
HETATM   47  O   UNL     1       4.502   0.031   0.108  1.00  0.00           O  
HETATM   48  O   UNL     1       0.117  -1.525   1.693  1.00  0.00           O  
HETATM   49  H   UNL     1       3.054   3.382   2.318  1.00  0.00           H  
HETATM   50  H   UNL     1       1.753   2.895   3.430  1.00  0.00           H  
HETATM   51  H   UNL     1       3.421   3.062   4.030  1.00  0.00           H  
HETATM   52  H   UNL     1       0.151  -2.769  -1.108  1.00  0.00           H  
HETATM   53  H   UNL     1       0.442  -0.124  -1.651  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.741  -1.095  -2.580  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.401  -0.866  -0.560  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.414  -0.396   0.852  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.007  -3.052   1.722  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.805  -2.791   1.652  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.535  -3.131  -0.985  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.007  -3.517  -1.892  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.883  -6.098  -1.556  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.860  -7.212  -2.603  1.00  0.00           H  
HETATM   63  H   UNL     1       0.123  -6.857  -1.083  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.661  -8.693  -2.516  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.475  -9.887  -1.209  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.789  -8.689  -1.139  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.127  -8.087   1.433  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.251  -9.444   0.685  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.429  -7.885   0.938  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.896   0.453   0.573  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.362   5.721  -0.187  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.714   5.240   1.490  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.873   4.303   2.086  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.271   4.172   1.544  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.048   4.683  -0.736  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.427   5.326  -2.474  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.029   5.465  -1.930  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.599   4.183  -1.151  1.00  0.00           H  
HETATM   79  H   UNL     1       4.759  -0.651   2.041  1.00  0.00           H  
HETATM   80  H   UNL     1       3.779  -2.519  -0.165  1.00  0.00           H  
HETATM   81  H   UNL     1       5.442  -2.437   0.462  1.00  0.00           H  
HETATM   82  H   UNL     1       4.119  -2.989   1.517  1.00  0.00           H  
HETATM   83  H   UNL     1       6.519  -0.413   0.056  1.00  0.00           H  
HETATM   84  H   UNL     1       6.066   0.971   1.078  1.00  0.00           H  
HETATM   85  H   UNL     1       5.932   0.891  -1.970  1.00  0.00           H  
HETATM   86  H   UNL     1       5.479   2.275  -0.947  1.00  0.00           H  
HETATM   87  H   UNL     1       8.244   0.987  -0.991  1.00  0.00           H  
HETATM   88  H   UNL     1       7.714   2.118  -3.133  1.00  0.00           H  
HETATM   89  H   UNL     1       7.238   3.583  -2.241  1.00  0.00           H  
HETATM   90  H   UNL     1      10.003   2.291  -2.195  1.00  0.00           H  
HETATM   91  H   UNL     1       9.563   3.770  -3.083  1.00  0.00           H  
HETATM   92  H   UNL     1       2.422  -1.298   2.377  1.00  0.00           H  
HETATM   93  H   UNL     1      10.639   4.319  -0.918  1.00  0.00           H  
HETATM   94  H   UNL     1       8.946   4.868  -0.947  1.00  0.00           H  
HETATM   95  H   UNL     1       9.952   2.272   0.303  1.00  0.00           H  
HETATM   96  H   UNL     1       9.476   3.737   1.194  1.00  0.00           H  
HETATM   97  H   UNL     1       7.188   3.565   0.257  1.00  0.00           H  
HETATM   98  H   UNL     1       7.627   2.086   1.145  1.00  0.00           H  
HETATM   99  H   UNL     1       3.700   0.849   3.387  1.00  0.00           H  
HETATM  100  H   UNL     1       2.210  -1.052  -0.525  1.00  0.00           H  
CONECT    1   40   49   50   51                                       
CONECT    2   37    3    5   52                                       
CONECT    3    2   38   53   54                                       
CONECT    4   38    5   55   56                                       
CONECT    5    2    4    6    7                                       
CONECT    6    5   39   57   58                                       
CONECT    7    5   39   59   60                                       
CONECT    8   39   44   44    9                                       
CONECT    9    8   10   11   61                                       
CONECT   10    9   11   62   63                                       
CONECT   11    9   10   12   13                                       
CONECT   12   11   64   65   66                                       
CONECT   13   11   67   68   69                                       
CONECT   14   38   45   45   15                                       
CONECT   15   14   17   25   25                                       
CONECT   16   40   46   46   33                                       
CONECT   17   15   41   41   70                                       
CONECT   18   42   19   71   72                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   73                                       
CONECT   21   20   22   22   74                                       
CONECT   22   21   21   23   75                                       
CONECT   23   22   24   24   76                                       
CONECT   24   19   23   23   77                                       
CONECT   25   15   15   42   78                                       
CONECT   26   33   27   47   79                                       
CONECT   27   26   80   81   82                                       
CONECT   28   47   29   83   84                                       
CONECT   29   28   30   85   86                                       
CONECT   30   29   31   36   87                                       
CONECT   31   30   32   88   89                                       
CONECT   32   31   34   90   91                                       
CONECT   33   16   43   26   92                                       
CONECT   34   32   35   93   94                                       
CONECT   35   34   36   95   96                                       
CONECT   36   30   35   97   98                                       
CONECT   37   43   48   48    2                                       
CONECT   38    3    4   14                                            
CONECT   39    6    7    8                                            
CONECT   40    1   16   99                                            
CONECT   41   17   17   42                                            
CONECT   42   41   18   25                                            
CONECT   43   33   37  100                                            
CONECT   44    8    8                                                 
CONECT   45   14   14                                                 
CONECT   46   16   16                                                 
CONECT   47   26   28                                                 
CONECT   48   37   37                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   40                                                      
CONECT  100   43                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
