COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.128  -1.749  -0.610  1.00  0.00           C  
HETATM    2  C   UNL     1       3.099   0.429   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1       1.872   0.118  -0.554  1.00  0.00           C  
HETATM    4  C   UNL     1       0.801  -1.202   1.336  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.326  -1.148  -0.714  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.518  -0.311  -0.329  1.00  0.00           C  
HETATM    7  C   UNL     1       0.247  -2.631   1.148  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.838   0.368  -0.634  1.00  0.00           C  
HETATM    9  C   UNL     1       0.760  -3.454  -0.036  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.796   1.794  -1.187  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.962   2.600  -0.610  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.957   4.039  -1.174  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.164   4.800  -0.088  1.00  0.00           C  
HETATM   14  C   UNL     1       2.038  -2.974  -0.727  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.790   2.785   0.882  1.00  0.00           C  
HETATM   16  C   UNL     1       0.573  -4.971   0.027  1.00  0.00           C  
HETATM   17  C   UNL     1       2.617   2.866  -0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       7.997  -1.262   0.105  1.00  0.00           C  
HETATM   19  C   UNL     1       8.213   1.156   0.696  1.00  0.00           C  
HETATM   20  C   UNL     1       8.938   0.350  -1.556  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.321  -3.319   1.242  1.00  0.00           C  
HETATM   22  C   UNL     1       2.895   1.750   1.008  1.00  0.00           C  
HETATM   23  C   UNL     1       1.708   1.619   1.964  1.00  0.00           C  
HETATM   24  C   UNL     1       4.157   2.087   1.805  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.496  -2.595  -0.204  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.492  -3.272   2.762  1.00  0.00           C  
HETATM   27  C   UNL     1       7.914   0.168  -0.434  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.087  -0.345  -1.155  1.00  0.00           C  
HETATM   29  C   UNL     1       5.499   0.313  -0.141  1.00  0.00           C  
HETATM   30  N   UNL     1       4.261   0.541  -0.622  1.00  0.00           N  
HETATM   31  N   UNL     1       0.896  -0.655  -0.038  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.643  -0.359  -1.069  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.275  -1.954   0.713  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.348   4.027   1.145  1.00  0.00           N  
HETATM   35  N   UNL     1       6.568   0.416  -0.956  1.00  0.00           N  
HETATM   36  O   UNL     1      -5.018   1.936   1.718  1.00  0.00           O  
HETATM   37  O   UNL     1       5.652   0.013   1.027  1.00  0.00           O  
HETATM   38  O   UNL     1       1.763   0.563  -1.677  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.465   0.405   0.648  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.034  -2.695  -1.364  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.050  -0.389  -2.583  1.00  0.00           O  
HETATM   42  H   UNL     1       3.268  -0.372   0.984  1.00  0.00           H  
HETATM   43  H   UNL     1       0.116  -0.605   1.937  1.00  0.00           H  
HETATM   44  H   UNL     1       1.786  -1.235   1.801  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.191  -1.140  -1.796  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.173  -3.129   2.022  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.866   0.402   0.455  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.854   2.266  -0.906  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.878   1.765  -2.274  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.909   2.106  -0.826  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.442   4.081  -2.134  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.972   4.428  -1.260  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.107   4.843  -0.353  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.563   5.807   0.035  1.00  0.00           H  
HETATM   55  H   UNL     1       2.843  -3.682  -0.532  1.00  0.00           H  
HETATM   56  H   UNL     1       1.866  -2.905  -1.801  1.00  0.00           H  
HETATM   57  H   UNL     1       2.314  -1.994  -0.339  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.055  -5.225   0.880  1.00  0.00           H  
HETATM   59  H   UNL     1       0.098  -5.317  -0.891  1.00  0.00           H  
HETATM   60  H   UNL     1       1.545  -5.452   0.135  1.00  0.00           H  
HETATM   61  H   UNL     1       1.718   2.626  -0.569  1.00  0.00           H  
HETATM   62  H   UNL     1       2.471   3.807   0.529  1.00  0.00           H  
HETATM   63  H   UNL     1       3.463   2.959  -0.683  1.00  0.00           H  
HETATM   64  H   UNL     1       8.998  -1.447   0.493  1.00  0.00           H  
HETATM   65  H   UNL     1       7.267  -1.392   0.904  1.00  0.00           H  
HETATM   66  H   UNL     1       7.783  -1.966  -0.700  1.00  0.00           H  
HETATM   67  H   UNL     1       9.215   0.971   1.084  1.00  0.00           H  
HETATM   68  H   UNL     1       8.154   2.174   0.312  1.00  0.00           H  
HETATM   69  H   UNL     1       7.484   1.026   1.495  1.00  0.00           H  
HETATM   70  H   UNL     1       8.725  -0.354  -2.360  1.00  0.00           H  
HETATM   71  H   UNL     1       8.879   1.369  -1.939  1.00  0.00           H  
HETATM   72  H   UNL     1       9.939   0.166  -1.167  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.392  -3.836   0.997  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.161  -3.853   0.799  1.00  0.00           H  
HETATM   75  H   UNL     1       0.818   1.339   1.401  1.00  0.00           H  
HETATM   76  H   UNL     1       1.924   0.852   2.708  1.00  0.00           H  
HETATM   77  H   UNL     1       1.538   2.572   2.464  1.00  0.00           H  
HETATM   78  H   UNL     1       4.012   3.028   2.335  1.00  0.00           H  
HETATM   79  H   UNL     1       4.356   1.292   2.524  1.00  0.00           H  
HETATM   80  H   UNL     1       5.003   2.180   1.124  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.463  -3.079  -0.341  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.651  -2.739   3.206  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.420  -2.756   3.007  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.526  -4.288   3.156  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.976   0.197  -0.832  1.00  0.00           H  
HETATM   86  H   UNL     1       4.139   0.780  -1.554  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.661  -0.875  -1.890  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.350  -1.198   1.316  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.173   4.367   2.036  1.00  0.00           H  
HETATM   90  H   UNL     1       6.446   0.655  -1.888  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.283  -0.856  -2.942  1.00  0.00           H  
CONECT    1   33   40   40   28                                       
CONECT    2   22   30    3   42                                       
CONECT    3    2   31   38   38                                       
CONECT    4    7   31   43   44                                       
CONECT    5   31   25    6   45                                       
CONECT    6   39   39    5   32                                       
CONECT    7    4   25    9   46                                       
CONECT    8   28   32   10   47                                       
CONECT    9    7   25   16   14                                       
CONECT   10    8   11   48   49                                       
CONECT   11   12   10   15   50                                       
CONECT   12   13   11   51   52                                       
CONECT   13   12   34   53   54                                       
CONECT   14    9   55   56   57                                       
CONECT   15   11   34   36   36                                       
CONECT   16    9   58   59   60                                       
CONECT   17   22   61   62   63                                       
CONECT   18   27   64   65   66                                       
CONECT   19   27   67   68   69                                       
CONECT   20   27   70   71   72                                       
CONECT   21   26   33   73   74                                       
CONECT   22   24   17    2   23                                       
CONECT   23   22   75   76   77                                       
CONECT   24   22   78   79   80                                       
CONECT   25    7    9    5   81                                       
CONECT   26   21   82   83   84                                       
CONECT   27   18   20   35   19                                       
CONECT   28   41    1    8   85                                       
CONECT   29   37   37   30   35                                       
CONECT   30    2   29   86                                            
CONECT   31    4    3    5                                            
CONECT   32    6    8   87                                            
CONECT   33   21    1   88                                            
CONECT   34   13   15   89                                            
CONECT   35   29   27   90                                            
CONECT   36   15   15                                                 
CONECT   37   29   29                                                 
CONECT   38    3    3                                                 
CONECT   39    6    6                                                 
CONECT   40    1    1                                                 
CONECT   41   28   91                                                 
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   28                                                      
CONECT   86   30                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   41                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
