COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.106  -3.695  -2.548  1.00  0.00           N  
HETATM    2  C   UNL     1       2.253  -2.211  -1.867  1.00  0.00           C  
HETATM    3  C   UNL     1       3.550  -1.443  -1.867  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.720  -1.901  -3.043  1.00  0.00           N  
HETATM    5  C   UNL     1       4.660  -2.315  -1.275  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.357   2.175  -1.335  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.755  -2.695  -1.270  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.221  -3.187  -0.983  1.00  0.00           C  
HETATM    9  C   UNL     1       0.927  -4.148  -1.298  1.00  0.00           C  
HETATM   10  N   UNL     1       2.203  -3.410  -1.223  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.483  -3.629  -1.725  1.00  0.00           C  
HETATM   12  O   UNL     1       1.273  -1.767  -2.425  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.668  -3.640  -0.757  1.00  0.00           C  
HETATM   14  O   UNL     1       3.438   0.981  -2.941  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.938  -2.993  -2.364  1.00  0.00           C  
HETATM   16  N   UNL     1       9.512  -2.560  -0.344  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.000  -3.442  -1.466  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.983  -1.595  -0.263  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.733  -1.766   0.911  1.00  0.00           O  
HETATM   20  C   UNL     1       5.999  -1.583  -1.390  1.00  0.00           C  
HETATM   21  C   UNL     1       7.108  -2.455  -0.798  1.00  0.00           C  
HETATM   22  C   UNL     1       8.447  -1.723  -0.912  1.00  0.00           C  
HETATM   23  C   UNL     1       3.369   0.959  -1.730  1.00  0.00           C  
HETATM   24  C   UNL     1       3.251   2.240  -0.945  1.00  0.00           C  
HETATM   25  C   UNL     1       2.582   1.957   0.402  1.00  0.00           C  
HETATM   26  C   UNL     1       3.421   0.978   1.183  1.00  0.00           C  
HETATM   27  C   UNL     1       2.810  -0.119   1.787  1.00  0.00           C  
HETATM   28  C   UNL     1       3.538  -1.025   2.495  1.00  0.00           C  
HETATM   29  C   UNL     1       4.928  -0.854   2.620  1.00  0.00           C  
HETATM   30  C   UNL     1       5.713  -1.769   3.342  1.00  0.00           C  
HETATM   31  C   UNL     1       7.056  -1.571   3.442  1.00  0.00           C  
HETATM   32  C   UNL     1       7.667  -0.474   2.839  1.00  0.00           C  
HETATM   33  C   UNL     1       6.938   0.433   2.132  1.00  0.00           C  
HETATM   34  C   UNL     1       5.549   0.262   2.006  1.00  0.00           C  
HETATM   35  C   UNL     1       4.763   1.176   1.283  1.00  0.00           C  
HETATM   36  C   UNL     1       1.717   4.095  -0.974  1.00  0.00           C  
HETATM   37  C   UNL     1       0.853   5.102  -1.693  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.359   5.399  -0.847  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.548   4.736  -1.080  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.654   5.003  -0.293  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.953   4.280  -0.543  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.686   1.987  -0.342  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.679   0.637   0.331  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.017   0.406   1.036  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.960  -0.907   1.820  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.336  -1.200   2.423  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.279  -2.513   3.206  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.245  -2.394   4.328  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.870  -2.100   3.725  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.927  -0.787   2.941  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.569   5.937   0.723  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.382   6.608   0.949  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.276   6.337   0.165  1.00  0.00           C  
HETATM   54  N   UNL     1       3.395  -0.223  -1.054  1.00  0.00           N  
HETATM   55  N   UNL     1       2.430   3.198  -1.719  1.00  0.00           N  
HETATM   56  N   UNL     1      -3.929   2.992   0.178  1.00  0.00           N  
HETATM   57  N   UNL     1      -4.477  -0.400  -0.708  1.00  0.00           N  
HETATM   58  O   UNL     1       1.776   4.082   0.237  1.00  0.00           O  
HETATM   59  H   UNL     1      -7.768  -3.378  -3.182  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.266  -4.509  -2.046  1.00  0.00           H  
HETATM   61  H   UNL     1       3.810  -1.168  -2.890  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.896  -1.406  -2.913  1.00  0.00           H  
HETATM   63  H   UNL     1       4.444  -2.515  -0.226  1.00  0.00           H  
HETATM   64  H   UNL     1       4.712  -3.257  -1.821  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.440  -2.259  -2.219  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.412  -3.189   0.090  1.00  0.00           H  
HETATM   67  H   UNL     1       0.052  -2.181  -1.300  1.00  0.00           H  
HETATM   68  H   UNL     1       0.932  -4.961  -0.571  1.00  0.00           H  
HETATM   69  H   UNL     1       0.798  -4.554  -2.301  1.00  0.00           H  
HETATM   70  H   UNL     1       2.967  -3.761  -0.739  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.687  -2.934  -2.540  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.335  -4.630  -2.129  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.336  -3.311   0.228  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.069  -4.651  -0.686  1.00  0.00           H  
HETATM   75  H   UNL     1      10.407  -2.099  -0.407  1.00  0.00           H  
HETATM   76  H   UNL     1       9.303  -2.813   0.610  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.162  -4.255  -0.961  1.00  0.00           H  
HETATM   78  H   UNL     1       6.215  -1.383  -2.439  1.00  0.00           H  
HETATM   79  H   UNL     1       5.946  -0.641  -0.844  1.00  0.00           H  
HETATM   80  H   UNL     1       6.892  -2.655   0.252  1.00  0.00           H  
HETATM   81  H   UNL     1       7.161  -3.397  -1.344  1.00  0.00           H  
HETATM   82  H   UNL     1       8.394  -0.781  -0.366  1.00  0.00           H  
HETATM   83  H   UNL     1       8.663  -1.523  -1.962  1.00  0.00           H  
HETATM   84  H   UNL     1       4.243   2.660  -0.779  1.00  0.00           H  
HETATM   85  H   UNL     1       2.490   2.886   0.964  1.00  0.00           H  
HETATM   86  H   UNL     1       1.592   1.534   0.234  1.00  0.00           H  
HETATM   87  H   UNL     1       1.742  -0.253   1.693  1.00  0.00           H  
HETATM   88  H   UNL     1       3.051  -1.871   2.958  1.00  0.00           H  
HETATM   89  H   UNL     1       5.253  -2.624   3.816  1.00  0.00           H  
HETATM   90  H   UNL     1       7.658  -2.275   3.998  1.00  0.00           H  
HETATM   91  H   UNL     1       8.734  -0.340   2.934  1.00  0.00           H  
HETATM   92  H   UNL     1       7.424   1.279   1.669  1.00  0.00           H  
HETATM   93  H   UNL     1       5.223   2.029   0.806  1.00  0.00           H  
HETATM   94  H   UNL     1       1.419   6.019  -1.854  1.00  0.00           H  
HETATM   95  H   UNL     1       0.538   4.693  -2.653  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.615   4.011  -1.877  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.783   4.886  -0.182  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.069   4.098  -1.612  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.868   0.593   1.057  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.214   1.230   1.722  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.814   0.353   0.295  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.677  -1.718   1.149  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.619  -0.389   3.093  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.072  -1.286   1.623  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.259  -2.723   3.636  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.995  -3.325   2.536  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.529  -1.582   4.998  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.205  -3.329   4.886  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.134  -2.014   4.524  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.586  -2.911   3.054  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.947  -0.577   2.512  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.210   0.024   3.612  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.431   6.143   1.340  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.318   7.344   1.737  1.00  0.00           H  
HETATM  115  H   UNL     1       0.653   6.858   0.343  1.00  0.00           H  
HETATM  116  H   UNL     1       3.315  -0.260  -0.088  1.00  0.00           H  
HETATM  117  H   UNL     1       2.400   3.190  -2.688  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.400   2.868   0.982  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.681  -0.241  -1.643  1.00  0.00           H  
CONECT    1   15   59   60                                            
CONECT    2    3   12   12   10                                       
CONECT    3    5   54    2   61                                       
CONECT    4   15   15   62                                            
CONECT    5   20    3   63   64                                       
CONECT    6   42   42                                                 
CONECT    7   18   17   13   65                                       
CONECT    8   11    9   66   67                                       
CONECT    9   10    8   68   69                                       
CONECT   10    2    9   70                                            
CONECT   11   13    8   71   72                                       
CONECT   12    2    2                                                 
CONECT   13    7   11   73   74                                       
CONECT   14   23   23                                                 
CONECT   15    4    4    1   17                                       
CONECT   16   22   75   76                                            
CONECT   17   15    7   77                                            
CONECT   18   19   19   57    7                                       
CONECT   19   18   18                                                 
CONECT   20   21    5   78   79                                       
CONECT   21   22   20   80   81                                       
CONECT   22   16   21   82   83                                       
CONECT   23   24   54   14   14                                       
CONECT   24   55   25   23   84                                       
CONECT   25   26   24   85   86                                       
CONECT   26   27   35   35   25                                       
CONECT   27   28   28   26   87                                       
CONECT   28   27   27   29   88                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   89                                       
CONECT   31   30   32   32   90                                       
CONECT   32   31   31   33   91                                       
CONECT   33   34   34   32   92                                       
CONECT   34   29   35   33   33                                       
CONECT   35   26   26   34   93                                       
CONECT   36   37   55   58   58                                       
CONECT   37   38   36   94   95                                       
CONECT   38   53   37   39   39                                       
CONECT   39   38   38   40   96                                       
CONECT   40   51   51   39   41                                       
CONECT   41   40   56   97   98                                       
CONECT   42    6    6   56   43                                       
CONECT   43   42   44   57   99                                       
CONECT   44   43   45  100  101                                       
CONECT   45   44   46   50  102                                       
CONECT   46   45   47  103  104                                       
CONECT   47   46   48  105  106                                       
CONECT   48   47   49  107  108                                       
CONECT   49   50   48  109  110                                       
CONECT   50   45   49  111  112                                       
CONECT   51   52   40   40  113                                       
CONECT   52   53   53   51  114                                       
CONECT   53   52   52   38  115                                       
CONECT   54   23    3  116                                            
CONECT   55   36   24  117                                            
CONECT   56   41   42  118                                            
CONECT   57   43   18  119                                            
CONECT   58   36   36                                                 
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   35                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   39                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   48                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   57                                                      
MASTER        0    0    0    0    0    0    0    0  119    0  119    0
END
