COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.389  -0.623  -0.269  1.00  0.00           C  
HETATM    2  C   UNL     1      10.919  -0.374  -0.555  1.00  0.00           C  
HETATM    3  C   UNL     1       9.676   0.140   0.174  1.00  0.00           C  
HETATM    4  C   UNL     1       8.430  -0.536  -0.404  1.00  0.00           C  
HETATM    5  C   UNL     1       7.179   0.068   0.238  1.00  0.00           C  
HETATM    6  C   UNL     1       5.932  -0.517  -0.428  1.00  0.00           C  
HETATM    7  C   UNL     1       4.681   0.086   0.214  1.00  0.00           C  
HETATM    8  C   UNL     1       3.434  -0.499  -0.451  1.00  0.00           C  
HETATM    9  C   UNL     1       2.184   0.009   0.271  1.00  0.00           C  
HETATM   10  C   UNL     1       0.945  -0.673  -0.313  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.304  -0.165   0.410  1.00  0.00           C  
HETATM   12  C   UNL     1      14.640  -0.013   0.365  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.543  -0.846  -0.174  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.793  -0.339   0.549  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.040  -0.924  -0.117  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.291  -0.320   0.525  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.538  -0.906  -0.140  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.789  -0.302   0.501  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.032  -0.792  -0.246  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.272  -0.092   0.315  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.515  -0.582  -0.432  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.755   0.117   0.128  1.00  0.00           C  
HETATM   23  C   UNL     1      14.845   1.405  -0.173  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.980  -0.277  -0.699  1.00  0.00           C  
HETATM   25  C   UNL     1     -15.197   0.517  -0.218  1.00  0.00           C  
HETATM   26  C   UNL     1     -16.422   0.122  -1.045  1.00  0.00           C  
HETATM   27  C   UNL     1     -17.638   0.916  -0.565  1.00  0.00           C  
HETATM   28  C   UNL     1     -18.887   0.433  -1.305  1.00  0.00           C  
HETATM   29  C   UNL     1     -17.824   0.705   0.939  1.00  0.00           C  
HETATM   30  C   UNL     1       8.481  -2.036  -0.109  1.00  0.00           C  
HETATM   31  C   UNL     1       3.386  -0.065  -1.918  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.746  -0.772   2.015  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.871  -0.735   1.966  1.00  0.00           C  
HETATM   34  C   UNL     1      13.628   2.263   0.174  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.964  -0.305   1.584  1.00  0.00           C  
HETATM   36  C   UNL     1      12.376   1.653  -0.460  1.00  0.00           C  
HETATM   37  C   UNL     1      12.171   0.236   0.078  1.00  0.00           C  
HETATM   38  C   UNL     1      11.158   2.512  -0.113  1.00  0.00           C  
HETATM   39  C   UNL     1      13.560  -0.674  -1.788  1.00  0.00           C  
HETATM   40  C   UNL     1      13.183  -2.040   0.269  1.00  0.00           C  
HETATM   41  O   UNL     1      13.468   2.311   1.593  1.00  0.00           O  
HETATM   42  O   UNL     1      15.778  -0.815   0.041  1.00  0.00           O  
HETATM   43  O   UNL     1     -17.435   2.306  -0.829  1.00  0.00           O  
HETATM   44  H   UNL     1      10.964  -1.460  -0.476  1.00  0.00           H  
HETATM   45  H   UNL     1      10.868  -0.089  -1.606  1.00  0.00           H  
HETATM   46  H   UNL     1       9.756  -0.092   1.236  1.00  0.00           H  
HETATM   47  H   UNL     1       9.598   1.219   0.042  1.00  0.00           H  
HETATM   48  H   UNL     1       8.398  -0.378  -1.482  1.00  0.00           H  
HETATM   49  H   UNL     1       7.168  -0.166   1.302  1.00  0.00           H  
HETATM   50  H   UNL     1       7.188   1.150   0.104  1.00  0.00           H  
HETATM   51  H   UNL     1       5.944  -0.283  -1.492  1.00  0.00           H  
HETATM   52  H   UNL     1       5.923  -1.599  -0.294  1.00  0.00           H  
HETATM   53  H   UNL     1       4.669  -0.148   1.278  1.00  0.00           H  
HETATM   54  H   UNL     1       4.690   1.168   0.080  1.00  0.00           H  
HETATM   55  H   UNL     1       3.469  -1.587  -0.395  1.00  0.00           H  
HETATM   56  H   UNL     1       2.260  -0.223   1.334  1.00  0.00           H  
HETATM   57  H   UNL     1       2.102   1.087   0.140  1.00  0.00           H  
HETATM   58  H   UNL     1       0.870  -0.441  -1.375  1.00  0.00           H  
HETATM   59  H   UNL     1       1.028  -1.752  -0.181  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.229  -0.397   1.472  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.387   0.914   0.278  1.00  0.00           H  
HETATM   62  H   UNL     1      14.518   0.024   1.447  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.619  -0.615  -1.237  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.461  -1.925  -0.042  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.828   0.749   0.493  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.028  -0.690  -1.181  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.049  -2.006   0.017  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.303  -0.555   1.589  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.282   0.761   0.391  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.526  -0.672  -1.205  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.547  -1.988  -0.007  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.737   0.785   0.445  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.933  -0.561  -1.306  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.133  -1.869  -0.116  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.371  -0.323   1.375  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.171   0.985   0.185  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.416  -0.352  -1.493  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.615  -1.659  -0.302  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.616   1.198   0.080  1.00  0.00           H  
HETATM   80  H   UNL     1      15.737   1.839   0.278  1.00  0.00           H  
HETATM   81  H   UNL     1      14.967   1.368  -1.256  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.795  -0.057  -1.750  1.00  0.00           H  
HETATM   83  H   UNL     1     -14.171  -1.343  -0.578  1.00  0.00           H  
HETATM   84  H   UNL     1     -15.382   0.297   0.833  1.00  0.00           H  
HETATM   85  H   UNL     1     -15.005   1.583  -0.338  1.00  0.00           H  
HETATM   86  H   UNL     1     -16.237   0.342  -2.097  1.00  0.00           H  
HETATM   87  H   UNL     1     -16.613  -0.944  -0.925  1.00  0.00           H  
HETATM   88  H   UNL     1     -18.755   0.584  -2.377  1.00  0.00           H  
HETATM   89  H   UNL     1     -19.042  -0.627  -1.104  1.00  0.00           H  
HETATM   90  H   UNL     1     -19.754   0.999  -0.963  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.691   1.271   1.281  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.979  -0.355   1.141  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.934   1.049   1.467  1.00  0.00           H  
HETATM   94  H   UNL     1       8.513  -2.194   0.969  1.00  0.00           H  
HETATM   95  H   UNL     1       7.594  -2.517  -0.520  1.00  0.00           H  
HETATM   96  H   UNL     1       9.372  -2.466  -0.566  1.00  0.00           H  
HETATM   97  H   UNL     1       4.277  -0.427  -2.433  1.00  0.00           H  
HETATM   98  H   UNL     1       2.498  -0.483  -2.392  1.00  0.00           H  
HETATM   99  H   UNL     1       3.351   1.023  -1.974  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.710  -1.860   2.071  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.857  -0.355   2.489  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.635  -0.411   2.530  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.986  -0.386   2.498  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.762  -0.305   2.423  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.923  -1.822   2.021  1.00  0.00           H  
HETATM  106  H   UNL     1      13.774   3.273  -0.209  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.091  -0.023   2.173  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.848   0.194   1.983  1.00  0.00           H  
HETATM  109  H   UNL     1     -13.103  -1.385   1.633  1.00  0.00           H  
HETATM  110  H   UNL     1      12.498   1.617  -1.542  1.00  0.00           H  
HETATM  111  H   UNL     1      12.049   0.273   1.161  1.00  0.00           H  
HETATM  112  H   UNL     1      11.416   3.566  -0.216  1.00  0.00           H  
HETATM  113  H   UNL     1      10.338   2.270  -0.789  1.00  0.00           H  
HETATM  114  H   UNL     1      10.853   2.312   0.915  1.00  0.00           H  
HETATM  115  H   UNL     1      13.706   0.336  -2.172  1.00  0.00           H  
HETATM  116  H   UNL     1      14.427  -1.286  -2.036  1.00  0.00           H  
HETATM  117  H   UNL     1      12.668  -1.109  -2.240  1.00  0.00           H  
HETATM  118  H   UNL     1      12.292  -2.475  -0.182  1.00  0.00           H  
HETATM  119  H   UNL     1      14.051  -2.652   0.022  1.00  0.00           H  
HETATM  120  H   UNL     1      13.061  -2.004   1.352  1.00  0.00           H  
HETATM  121  H   UNL     1      14.225   2.688   2.062  1.00  0.00           H  
HETATM  122  H   UNL     1      16.609  -0.487   0.410  1.00  0.00           H  
HETATM  123  H   UNL     1     -18.169   2.871  -0.550  1.00  0.00           H  
CONECT    1   40   37   12   39                                       
CONECT    2    3   37   44   45                                       
CONECT    3    4    2   46   47                                       
CONECT    4    5   30    3   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6    7    5   51   52                                       
CONECT    7    8    6   53   54                                       
CONECT    8    9   31    7   55                                       
CONECT    9   10    8   56   57                                       
CONECT   10   11    9   58   59                                       
CONECT   11   13   10   60   61                                       
CONECT   12    1   42   23   62                                       
CONECT   13   14   11   63   64                                       
CONECT   14   15   32   13   65                                       
CONECT   15   16   14   66   67                                       
CONECT   16   17   15   68   69                                       
CONECT   17   18   16   70   71                                       
CONECT   18   33   19   17   72                                       
CONECT   19   20   18   73   74                                       
CONECT   20   21   19   75   76                                       
CONECT   21   22   20   77   78                                       
CONECT   22   24   35   21   79                                       
CONECT   23   12   34   80   81                                       
CONECT   24   25   22   82   83                                       
CONECT   25   26   24   84   85                                       
CONECT   26   27   25   86   87                                       
CONECT   27   29   28   43   26                                       
CONECT   28   27   88   89   90                                       
CONECT   29   27   91   92   93                                       
CONECT   30    4   94   95   96                                       
CONECT   31    8   97   98   99                                       
CONECT   32   14  100  101  102                                       
CONECT   33   18  103  104  105                                       
CONECT   34   36   23   41  106                                       
CONECT   35   22  107  108  109                                       
CONECT   36   37   38   34  110                                       
CONECT   37    1    2   36  111                                       
CONECT   38   36  112  113  114                                       
CONECT   39    1  115  116  117                                       
CONECT   40    1  118  119  120                                       
CONECT   41   34  121                                                 
CONECT   42   12  122                                                 
CONECT   43   27  123                                                 
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   31                                                      
CONECT  100   32                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   33                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   38                                                      
CONECT  115   39                                                      
CONECT  116   39                                                      
CONECT  117   39                                                      
CONECT  118   40                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   41                                                      
CONECT  122   42                                                      
CONECT  123   43                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
