COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.854   2.920  -0.365  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.709   3.002   0.626  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.158   4.371   0.951  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.811   4.238   1.695  1.00  0.00           C  
HETATM    5  O   UNL     1       0.227   3.884   0.788  1.00  0.00           O  
HETATM    6  C   UNL     1       2.223   2.820  -0.140  1.00  0.00           C  
HETATM    7  C   UNL     1       2.235   1.722  -1.175  1.00  0.00           C  
HETATM    8  C   UNL     1       0.968   1.457  -1.969  1.00  0.00           C  
HETATM    9  C   UNL     1       0.292   0.174  -1.508  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.919  -0.222  -2.339  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.218  -0.142  -1.548  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.123   0.997  -2.021  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.954   1.496  -0.869  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.776   0.692  -0.299  1.00  0.00           N  
HETATM   15  C   UNL     1       1.025   2.832   0.777  1.00  0.00           C  
HETATM   16  O   UNL     1       0.854   1.861   1.483  1.00  0.00           O  
HETATM   17  O   UNL     1       2.679   0.501  -0.559  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.018   0.213  -0.121  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.754   3.861  -1.554  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.065   0.474  -3.114  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.134   5.113   1.876  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.665   2.116   0.220  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.898   5.185  -0.194  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.952   3.338   2.911  1.00  0.00           C  
HETATM   25  C   UNL     1       2.449   4.199  -0.759  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.725  -1.699  -2.759  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.004   0.543  -3.541  1.00  0.00           O  
HETATM   28  C   UNL     1       0.457  -0.918   0.613  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.266  -0.992   1.961  1.00  0.00           C  
HETATM   30  C   UNL     1       0.204  -2.240   2.715  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.055  -3.475   1.848  1.00  0.00           C  
HETATM   32  C   UNL     1       0.659  -3.305   0.505  1.00  0.00           C  
HETATM   33  O   UNL     1       0.199  -2.111  -0.131  1.00  0.00           O  
HETATM   34  N   UNL     1      -0.539  -2.360   3.977  1.00  0.00           N  
HETATM   35  C   UNL     1       0.356  -4.509  -0.391  1.00  0.00           C  
HETATM   36  O   UNL     1       0.037   0.174   2.730  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.965  -2.608   3.726  1.00  0.00           C  
HETATM   38  C   UNL     1       4.098   0.304  -0.611  1.00  0.00           C  
HETATM   39  C   UNL     1       4.455  -0.955   0.181  1.00  0.00           C  
HETATM   40  C   UNL     1       5.963  -1.201   0.105  1.00  0.00           C  
HETATM   41  C   UNL     1       6.427  -1.250  -1.347  1.00  0.00           C  
HETATM   42  C   UNL     1       5.867  -0.131  -2.210  1.00  0.00           C  
HETATM   43  O   UNL     1       4.496   0.131  -1.966  1.00  0.00           O  
HETATM   44  O   UNL     1       6.232  -2.484   0.704  1.00  0.00           O  
HETATM   45  O   UNL     1       6.056  -2.515  -1.915  1.00  0.00           O  
HETATM   46  C   UNL     1       5.835  -2.580   2.074  1.00  0.00           C  
HETATM   47  C   UNL     1       0.036  -3.409   4.828  1.00  0.00           C  
HETATM   48  C   UNL     1       6.700   1.144  -2.088  1.00  0.00           C  
HETATM   49  C   UNL     1       0.363   3.327   3.693  1.00  0.00           C  
HETATM   50  C   UNL     1       0.025   2.646  -2.009  1.00  0.00           C  
HETATM   51  C   UNL     1       6.720  -0.142   0.903  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.678  -1.476   0.126  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.348  -3.468   0.199  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.375  -4.956  -0.157  1.00  0.00           C  
HETATM   55  C   UNL     1      -4.387  -6.464  -2.020  1.00  0.00           C  
HETATM   56  O   UNL     1      -4.794  -0.677  -0.663  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.551  -2.846  -0.257  1.00  0.00           O  
HETATM   58  O   UNL     1      -4.363  -5.105  -1.578  1.00  0.00           O  
HETATM   59  H   UNL     1      -4.792   3.143   0.168  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.117   2.573   1.579  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.586   5.256   2.089  1.00  0.00           H  
HETATM   62  H   UNL     1       3.101   2.639   0.530  1.00  0.00           H  
HETATM   63  H   UNL     1       3.028   1.971  -1.921  1.00  0.00           H  
HETATM   64  H   UNL     1       1.290   1.275  -3.023  1.00  0.00           H  
HETATM   65  H   UNL     1       1.033  -0.648  -1.629  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.769  -1.083  -1.696  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.046  -0.049  -0.482  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.516   1.793  -2.432  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.845   3.644  -2.114  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.621   3.724  -2.200  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.725   4.892  -1.200  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.676  -0.334  -2.710  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.712   1.283  -3.454  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.478   0.101  -3.953  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.262   4.545   2.798  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.735   6.100   2.109  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.098   5.218   1.378  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.970   1.998   0.881  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.546   6.060   0.017  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.752   3.712   3.550  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.190   2.325   2.587  1.00  0.00           H  
HETATM   82  H   UNL     1       1.660   4.406  -1.482  1.00  0.00           H  
HETATM   83  H   UNL     1       2.433   4.956   0.025  1.00  0.00           H  
HETATM   84  H   UNL     1       3.417   4.217  -1.261  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.651  -2.323  -1.868  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.576  -2.021  -3.359  1.00  0.00           H  
HETATM   87  H   UNL     1       0.189  -1.793  -3.345  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.763   0.319  -4.096  1.00  0.00           H  
HETATM   89  H   UNL     1       1.529  -0.819   0.780  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.341  -1.050   1.794  1.00  0.00           H  
HETATM   91  H   UNL     1       1.270  -2.159   2.925  1.00  0.00           H  
HETATM   92  H   UNL     1       0.326  -4.362   2.354  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.127  -3.584   1.679  1.00  0.00           H  
HETATM   94  H   UNL     1       1.734  -3.237   0.671  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.708  -4.526  -0.628  1.00  0.00           H  
HETATM   96  H   UNL     1       0.932  -4.430  -1.312  1.00  0.00           H  
HETATM   97  H   UNL     1       0.627  -5.427   0.131  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.470   0.956   2.474  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.079  -3.534   3.163  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.492  -2.693   4.676  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.382  -1.781   3.152  1.00  0.00           H  
HETATM  102  H   UNL     1       4.586   1.174  -0.178  1.00  0.00           H  
HETATM  103  H   UNL     1       4.159  -0.824   1.223  1.00  0.00           H  
HETATM  104  H   UNL     1       3.923  -1.811  -0.238  1.00  0.00           H  
HETATM  105  H   UNL     1       7.527  -1.191  -1.363  1.00  0.00           H  
HETATM  106  H   UNL     1       5.949  -0.463  -3.268  1.00  0.00           H  
HETATM  107  H   UNL     1       6.318  -2.623  -2.839  1.00  0.00           H  
HETATM  108  H   UNL     1       4.762  -2.406   2.155  1.00  0.00           H  
HETATM  109  H   UNL     1       6.072  -3.575   2.451  1.00  0.00           H  
HETATM  110  H   UNL     1       6.370  -1.833   2.660  1.00  0.00           H  
HETATM  111  H   UNL     1       1.048  -3.128   5.118  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.577  -3.529   5.721  1.00  0.00           H  
HETATM  113  H   UNL     1       0.064  -4.350   4.278  1.00  0.00           H  
HETATM  114  H   UNL     1       7.722   0.942  -2.408  1.00  0.00           H  
HETATM  115  H   UNL     1       6.269   1.922  -2.719  1.00  0.00           H  
HETATM  116  H   UNL     1       6.703   1.479  -1.050  1.00  0.00           H  
HETATM  117  H   UNL     1       0.262   2.681   4.565  1.00  0.00           H  
HETATM  118  H   UNL     1       1.163   2.953   3.054  1.00  0.00           H  
HETATM  119  H   UNL     1       0.601   4.340   4.017  1.00  0.00           H  
HETATM  120  H   UNL     1       0.529   3.494  -2.470  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.860   2.388  -2.592  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.273   2.908  -0.994  1.00  0.00           H  
HETATM  123  H   UNL     1       6.409  -0.182   1.946  1.00  0.00           H  
HETATM  124  H   UNL     1       7.791  -0.335   0.836  1.00  0.00           H  
HETATM  125  H   UNL     1       6.503   0.845   0.495  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.423  -1.367   1.180  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.705  -1.148  -0.034  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.268  -3.355   1.280  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.490  -2.995  -0.280  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.500  -5.447   0.268  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.280  -5.410   0.248  1.00  0.00           H  
HETATM  132  H   UNL     1      -4.376  -6.492  -3.109  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.512  -6.987  -1.634  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.291  -6.949  -1.653  1.00  0.00           H  
CONECT    1    2   13   19   59                                       
CONECT    2    1    3   22   60                                       
CONECT    3    2    4   21   23                                       
CONECT    4    3    5   24   61                                       
CONECT    5    4   15                                                 
CONECT    6    7   15   25   62                                       
CONECT    7    6    8   17   63                                       
CONECT    8    7    9   50   64                                       
CONECT    9    8   10   18   65                                       
CONECT   10    9   11   26   27                                       
CONECT   11   10   12   66   67                                       
CONECT   12   11   13   20   68                                       
CONECT   13    1   12   14   14                                       
CONECT   14   13   13   56                                            
CONECT   15    5    6   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    7   38                                                 
CONECT   18    9   28                                                 
CONECT   19    1   69   70   71                                       
CONECT   20   12   72   73   74                                       
CONECT   21    3   75   76   77                                       
CONECT   22    2   78                                                 
CONECT   23    3   79                                                 
CONECT   24    4   49   80   81                                       
CONECT   25    6   82   83   84                                       
CONECT   26   10   85   86   87                                       
CONECT   27   10   88                                                 
CONECT   28   18   29   33   89                                       
CONECT   29   28   30   36   90                                       
CONECT   30   29   31   34   91                                       
CONECT   31   30   32   92   93                                       
CONECT   32   31   33   35   94                                       
CONECT   33   28   32                                                 
CONECT   34   30   37   47                                            
CONECT   35   32   95   96   97                                       
CONECT   36   29   98                                                 
CONECT   37   34   99  100  101                                       
CONECT   38   17   39   43  102                                       
CONECT   39   38   40  103  104                                       
CONECT   40   39   41   44   51                                       
CONECT   41   40   42   45  105                                       
CONECT   42   41   43   48  106                                       
CONECT   43   38   42                                                 
CONECT   44   40   46                                                 
CONECT   45   41  107                                                 
CONECT   46   44  108  109  110                                       
CONECT   47   34  111  112  113                                       
CONECT   48   42  114  115  116                                       
CONECT   49   24  117  118  119                                       
CONECT   50    8  120  121  122                                       
CONECT   51   40  123  124  125                                       
CONECT   52   56   57  126  127                                       
CONECT   53   54   57  128  129                                       
CONECT   54   53   58  130  131                                       
CONECT   55   58  132  133  134                                       
CONECT   56   14   52                                                 
CONECT   57   52   53                                                 
CONECT   58   54   55                                                 
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   48                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   49                                                      
CONECT  119   49                                                      
CONECT  120   50                                                      
CONECT  121   50                                                      
CONECT  122   50                                                      
CONECT  123   51                                                      
CONECT  124   51                                                      
CONECT  125   51                                                      
CONECT  126   52                                                      
CONECT  127   52                                                      
CONECT  128   53                                                      
CONECT  129   53                                                      
CONECT  130   54                                                      
CONECT  131   54                                                      
CONECT  132   55                                                      
CONECT  133   55                                                      
CONECT  134   55                                                      
MASTER        0    0    0    0    0    0    0    0  134    0  134    0
END
