COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.294   4.685  -1.835  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.085   5.699  -1.313  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.954   5.448  -0.273  1.00  0.00           C  
HETATM    4  N   UNL     1       8.612   2.650  -0.105  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.566   1.933   0.486  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.490   2.280   1.396  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.971   0.562   0.291  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.661   0.459   1.074  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.954  -1.098   1.802  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.430  -2.525   1.628  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.142  -2.505  -0.685  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.667  -1.078  -0.512  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.465  -3.994   0.052  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.222  -5.127   0.317  1.00  0.00           C  
HETATM   15  C   UNL     1       0.390  -5.402  -0.586  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.148  -4.131  -0.403  1.00  0.00           C  
HETATM   17  C   UNL     1       0.670  -2.927  -0.690  1.00  0.00           C  
HETATM   18  C   UNL     1       1.957  -2.804  -0.165  1.00  0.00           C  
HETATM   19  C   UNL     1       2.101  -0.672  -1.274  1.00  0.00           C  
HETATM   20  C   UNL     1       6.102  -0.167   0.292  1.00  0.00           C  
HETATM   21  C   UNL     1       7.957   3.783   0.597  1.00  0.00           C  
HETATM   22  C   UNL     1       8.960   4.948   0.403  1.00  0.00           C  
HETATM   23  C   UNL     1      10.332   4.246   0.518  1.00  0.00           C  
HETATM   24  C   UNL     1      10.054   2.765   0.201  1.00  0.00           C  
HETATM   25  O   UNL     1       4.553  -2.323   0.767  1.00  0.00           O  
HETATM   26  C   UNL     1       4.053  -1.466   0.064  1.00  0.00           C  
HETATM   27  N   UNL     1       4.747  -0.349  -0.233  1.00  0.00           N  
HETATM   28  C   UNL     1       6.660   1.173  -0.190  1.00  0.00           C  
HETATM   29  C   UNL     1       8.076   1.363   0.358  1.00  0.00           C  
HETATM   30  C   UNL     1       2.685  -1.650  -0.466  1.00  0.00           C  
HETATM   31  N   UNL     1       0.885  -0.831  -1.754  1.00  0.00           N  
HETATM   32  C   UNL     1       0.165  -1.904  -1.493  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.375  -6.519  -0.317  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.676  -6.382   0.132  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.016  -2.726   0.232  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.081  -0.877   0.884  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.241   3.141  -0.276  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.368   3.418  -1.330  1.00  0.00           C  
HETATM   39  N   UNL     1      -7.790   3.609   1.272  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.041   4.166   0.260  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.619   4.899  -2.650  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.019   6.695  -1.725  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.565   6.244   0.126  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.932   1.609   2.118  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.670  -0.192   0.651  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.775   0.399  -0.769  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.961   1.213   0.714  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.857   0.622   2.134  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.289  -0.956   2.829  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.158  -0.388   1.577  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.576  -2.682   2.287  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.218  -3.235   1.879  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.939  -3.215  -0.461  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.808  -2.647  -1.713  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.878  -0.368  -0.762  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.521  -0.921  -1.171  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.239  -5.026   0.668  1.00  0.00           H  
HETATM   58  H   UNL     1       1.406  -5.513  -0.937  1.00  0.00           H  
HETATM   59  H   UNL     1       2.378  -3.579   0.458  1.00  0.00           H  
HETATM   60  H   UNL     1       2.656   0.223  -1.513  1.00  0.00           H  
HETATM   61  H   UNL     1       6.074  -0.178   1.382  1.00  0.00           H  
HETATM   62  H   UNL     1       6.741  -0.976  -0.063  1.00  0.00           H  
HETATM   63  H   UNL     1       6.998   4.020   0.136  1.00  0.00           H  
HETATM   64  H   UNL     1       7.828   3.557   1.656  1.00  0.00           H  
HETATM   65  H   UNL     1       8.839   5.400  -0.582  1.00  0.00           H  
HETATM   66  H   UNL     1       8.841   5.695   1.188  1.00  0.00           H  
HETATM   67  H   UNL     1      11.032   4.663  -0.206  1.00  0.00           H  
HETATM   68  H   UNL     1      10.726   4.349   1.529  1.00  0.00           H  
HETATM   69  H   UNL     1      10.300   2.148   1.065  1.00  0.00           H  
HETATM   70  H   UNL     1      10.643   2.453  -0.661  1.00  0.00           H  
HETATM   71  H   UNL     1       4.348   0.335  -0.794  1.00  0.00           H  
HETATM   72  H   UNL     1       6.688   1.184  -1.280  1.00  0.00           H  
HETATM   73  H   UNL     1       6.022   1.982   0.165  1.00  0.00           H  
HETATM   74  H   UNL     1       8.715   0.555   0.002  1.00  0.00           H  
HETATM   75  H   UNL     1       8.048   1.352   1.447  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.828  -1.993  -1.907  1.00  0.00           H  
HETATM   77  H   UNL     1       0.045  -7.504  -0.459  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.268  -7.261   0.340  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.752   2.632  -1.744  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.431   4.089   1.820  1.00  0.00           H  
CONECT    1    2    2   38   41                                       
CONECT    2    3    1    1   42                                       
CONECT    3   40   40    2   43                                       
CONECT    4   21   24   29                                            
CONECT    5    6    6    7   37                                       
CONECT    6   39    5    5   44                                       
CONECT    7    5    8   45   46                                       
CONECT    8    7   36   47   48                                       
CONECT    9   10   36   49   50                                       
CONECT   10    9   35   51   52                                       
CONECT   11   35   12   53   54                                       
CONECT   12   36   11   55   56                                       
CONECT   13   16   35   14   14                                       
CONECT   14   13   13   34   57                                       
CONECT   15   16   16   33   58                                       
CONECT   16   17   15   15   13                                       
CONECT   17   18   16   32   32                                       
CONECT   18   30   30   17   59                                       
CONECT   19   30   31   31   60                                       
CONECT   20   28   27   61   62                                       
CONECT   21   22    4   63   64                                       
CONECT   22   23   21   65   66                                       
CONECT   23   22   24   67   68                                       
CONECT   24   23    4   69   70                                       
CONECT   25   26   26                                                 
CONECT   26   27   25   25   30                                       
CONECT   27   20   26   71                                            
CONECT   28   29   20   72   73                                       
CONECT   29    4   28   74   75                                       
CONECT   30   26   18   18   19                                       
CONECT   31   19   19   32                                            
CONECT   32   17   17   31   76                                       
CONECT   33   15   34   34   77                                       
CONECT   34   33   33   14   78                                       
CONECT   35   10   13   11                                            
CONECT   36    9    8   12                                            
CONECT   37   40    5   38   38                                       
CONECT   38   37   37    1   79                                       
CONECT   39    6   40   80                                            
CONECT   40   39    3    3   37                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
