COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.166  -3.134   0.970  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.879  -3.563   1.230  1.00  0.00           C  
HETATM    3  C   UNL     1       0.152  -3.228   0.364  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.109  -2.464  -0.764  1.00  0.00           C  
HETATM    5  C   UNL     1       2.431  -3.269  -0.313  1.00  0.00           C  
HETATM    6  C   UNL     1       3.760  -3.823   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1     -17.064   0.728   0.733  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.098   1.302   0.136  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.653   1.316   0.250  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.589   1.439  -0.039  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.150   0.445  -1.116  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.611   3.106  -1.130  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.573  -0.141   1.199  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.526   1.640  -0.037  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.785  -1.156  -1.668  1.00  0.00           C  
HETATM   16  C   UNL     1      12.854   0.870   2.463  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.165   2.059  -0.372  1.00  0.00           C  
HETATM   18  C   UNL     1      11.439   1.451   2.425  1.00  0.00           C  
HETATM   19  C   UNL     1     -16.115   1.510   0.153  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.237  -0.773  -1.966  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.277  -1.176   0.702  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.728  -0.794   0.404  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.429  -2.373  -0.161  1.00  0.00           C  
HETATM   24  C   UNL     1       9.548   1.758   0.985  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.395  -2.035  -1.025  1.00  0.00           C  
HETATM   26  C   UNL     1     -18.313   1.275   0.379  1.00  0.00           C  
HETATM   27  C   UNL     1     -18.067   2.357  -0.386  1.00  0.00           C  
HETATM   28  C   UNL     1       9.048   1.487  -0.436  1.00  0.00           C  
HETATM   29  C   UNL     1       8.474  -0.287  -1.943  1.00  0.00           C  
HETATM   30  C   UNL     1       8.394  -1.811  -2.049  1.00  0.00           C  
HETATM   31  C   UNL     1       7.243  -3.719  -1.166  1.00  0.00           C  
HETATM   32  C   UNL     1       6.159  -4.127  -0.166  1.00  0.00           C  
HETATM   33  C   UNL     1      15.044   1.136   1.527  1.00  0.00           C  
HETATM   34  N   UNL     1       4.868  -3.589  -0.599  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.733  -1.943  -0.428  1.00  0.00           N  
HETATM   36  N   UNL     1     -10.352   0.232   0.902  1.00  0.00           N  
HETATM   37  N   UNL     1     -12.674   0.530   0.753  1.00  0.00           N  
HETATM   38  N   UNL     1     -11.750  -1.252   1.991  1.00  0.00           N  
HETATM   39  N   UNL     1      -8.955   1.889  -0.318  1.00  0.00           N  
HETATM   40  N   UNL     1      -9.311   2.997  -1.098  1.00  0.00           N  
HETATM   41  N   UNL     1     -13.728   2.093  -0.326  1.00  0.00           N  
HETATM   42  N   UNL     1     -14.053   0.349   0.919  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.780  -0.007  -0.836  1.00  0.00           N  
HETATM   44  O   UNL     1      13.693   1.601   1.568  1.00  0.00           O  
HETATM   45  O   UNL     1      10.875   1.248   1.128  1.00  0.00           O  
HETATM   46  O   UNL     1       8.936   0.077  -0.641  1.00  0.00           O  
HETATM   47  O   UNL     1       7.400  -2.299  -1.146  1.00  0.00           O  
HETATM   48  O   UNL     1       1.419  -3.650   0.621  1.00  0.00           O  
HETATM   49  O   UNL     1       3.833  -4.479   1.150  1.00  0.00           O  
HETATM   50  O   UNL     1     -16.739   2.492  -0.526  1.00  0.00           O  
HETATM   51  H   UNL     1      -2.968  -3.395   1.644  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.675  -4.158   2.107  1.00  0.00           H  
HETATM   53  H   UNL     1       0.695  -2.201  -1.435  1.00  0.00           H  
HETATM   54  H   UNL     1       2.489  -2.182  -0.363  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.389  -1.750  -2.492  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.187  -0.252  -1.551  1.00  0.00           H  
HETATM   57  H   UNL     1      13.250   0.944   3.476  1.00  0.00           H  
HETATM   58  H   UNL     1      12.824  -0.177   2.161  1.00  0.00           H  
HETATM   59  H   UNL     1      10.821   0.952   3.172  1.00  0.00           H  
HETATM   60  H   UNL     1      11.479   2.519   2.641  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.275  -0.165  -2.869  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.829  -1.677  -2.110  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.684  -0.273   0.846  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.239  -1.784   1.606  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.326  -1.697   0.287  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.124  -0.200   1.229  1.00  0.00           H  
HETATM   67  H   UNL     1       9.549   2.832   1.171  1.00  0.00           H  
HETATM   68  H   UNL     1       8.891   1.265   1.701  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.598  -1.439  -1.903  1.00  0.00           H  
HETATM   70  H   UNL     1     -19.283   0.900   0.668  1.00  0.00           H  
HETATM   71  H   UNL     1     -18.815   3.003  -0.821  1.00  0.00           H  
HETATM   72  H   UNL     1       8.072   1.952  -0.572  1.00  0.00           H  
HETATM   73  H   UNL     1       9.753   1.903  -1.155  1.00  0.00           H  
HETATM   74  H   UNL     1       9.168   0.093  -2.693  1.00  0.00           H  
HETATM   75  H   UNL     1       7.486   0.142  -2.111  1.00  0.00           H  
HETATM   76  H   UNL     1       8.127  -2.091  -3.068  1.00  0.00           H  
HETATM   77  H   UNL     1       9.361  -2.244  -1.794  1.00  0.00           H  
HETATM   78  H   UNL     1       8.186  -4.193  -0.892  1.00  0.00           H  
HETATM   79  H   UNL     1       6.953  -4.039  -2.167  1.00  0.00           H  
HETATM   80  H   UNL     1       6.102  -5.214  -0.116  1.00  0.00           H  
HETATM   81  H   UNL     1       6.406  -3.731   0.819  1.00  0.00           H  
HETATM   82  H   UNL     1      15.486   1.216   2.521  1.00  0.00           H  
HETATM   83  H   UNL     1      15.060   0.095   1.205  1.00  0.00           H  
HETATM   84  H   UNL     1       4.809  -3.064  -1.413  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.646  -1.545   2.222  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.980  -1.743   2.318  1.00  0.00           H  
HETATM   87  C   UNL     1      15.835   1.975   0.557  1.00  0.00           C  
HETATM   88  O   UNL     1      15.297   2.878  -0.039  1.00  0.00           O  
HETATM   89  O   UNL     1      17.137   1.718   0.354  1.00  0.00           O  
HETATM   90  C   UNL     1      17.836   2.566  -0.595  1.00  0.00           C  
HETATM   91  C   UNL     1      17.772   4.020  -0.123  1.00  0.00           C  
HETATM   92  C   UNL     1      19.298   2.126  -0.692  1.00  0.00           C  
HETATM   93  C   UNL     1      17.174   2.446  -1.969  1.00  0.00           C  
HETATM   94  H   UNL     1       2.185  -3.666  -1.298  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.893  -0.147   1.343  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.559   0.955   0.937  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.917   2.297  -0.040  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.822  -0.413  -1.115  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.180   0.929  -2.092  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.167   3.868  -1.655  1.00  0.00           H  
HETATM  101  H   UNL     1      18.243   4.106   0.856  1.00  0.00           H  
HETATM  102  H   UNL     1      18.296   4.657  -0.836  1.00  0.00           H  
HETATM  103  H   UNL     1      16.730   4.334  -0.054  1.00  0.00           H  
HETATM  104  H   UNL     1      19.343   1.090  -1.028  1.00  0.00           H  
HETATM  105  H   UNL     1      19.822   2.762  -1.405  1.00  0.00           H  
HETATM  106  H   UNL     1      19.769   2.211   0.287  1.00  0.00           H  
HETATM  107  H   UNL     1      16.133   2.760  -1.900  1.00  0.00           H  
HETATM  108  H   UNL     1      17.699   3.083  -2.682  1.00  0.00           H  
HETATM  109  H   UNL     1      17.220   1.410  -2.306  1.00  0.00           H  
CONECT    1   23   23    2   51                                       
CONECT    2    3    3    1   52                                       
CONECT    3    4   48    2    2                                       
CONECT    4   25   25    3   53                                       
CONECT    5   48    6   54   94                                       
CONECT    6    5   34   49   49                                       
CONECT    7   19   19   26   95                                       
CONECT    8   39   17   17   36                                       
CONECT    9   41   42   42   19                                       
CONECT   10   11   39   96   97                                       
CONECT   11   43   10   98   99                                       
CONECT   12   40   40   17  100                                       
CONECT   13   36   36   37   38                                       
CONECT   14   17   41   41   37                                       
CONECT   15   20   35   55   56                                       
CONECT   16   44   18   57   58                                       
CONECT   17   12    8    8   14                                       
CONECT   18   16   45   59   60                                       
CONECT   19    9    7    7   50                                       
CONECT   20   15   43   61   62                                       
CONECT   21   35   22   63   64                                       
CONECT   22   43   21   65   66                                       
CONECT   23   25   35    1    1                                       
CONECT   24   28   45   67   68                                       
CONECT   25    4    4   23   69                                       
CONECT   26    7   27   27   70                                       
CONECT   27   50   26   26   71                                       
CONECT   28   46   24   72   73                                       
CONECT   29   30   46   74   75                                       
CONECT   30   47   29   76   77                                       
CONECT   31   47   32   78   79                                       
CONECT   32   31   34   80   81                                       
CONECT   33   44   82   83   87                                       
CONECT   34   32    6   84                                            
CONECT   35   15   23   21                                            
CONECT   36    8   13   13                                            
CONECT   37   14   13   42                                            
CONECT   38   13   85   86                                            
CONECT   39   10   40    8                                            
CONECT   40   39   12   12                                            
CONECT   41   14   14    9                                            
CONECT   42   37    9    9                                            
CONECT   43   20   11   22                                            
CONECT   44   33   16                                                 
CONECT   45   24   18                                                 
CONECT   46   29   28                                                 
CONECT   47   30   31                                                 
CONECT   48    5    3                                                 
CONECT   49    6    6                                                 
CONECT   50   19   27                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   33   88   88   89                                       
CONECT   88   87   87                                                 
CONECT   89   87   90                                                 
CONECT   90   89   91   92   93                                       
CONECT   91   90  101  102  103                                       
CONECT   92   90  104  105  106                                       
CONECT   93   90  107  108  109                                       
CONECT   94    5                                                      
CONECT   95    7                                                      
CONECT   96   10                                                      
CONECT   97   10                                                      
CONECT   98   11                                                      
CONECT   99   11                                                      
CONECT  100   12                                                      
CONECT  101   91                                                      
CONECT  102   91                                                      
CONECT  103   91                                                      
CONECT  104   92                                                      
CONECT  105   92                                                      
CONECT  106   92                                                      
CONECT  107   93                                                      
CONECT  108   93                                                      
CONECT  109   93                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
