COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       2.419  -0.148  -0.534  1.00  0.00           C  
HETATM    2  C   UNL     1       1.073  -0.027   0.133  1.00  0.00           C  
HETATM    3  C   UNL     1       0.507   2.117  -1.116  1.00  0.00           C  
HETATM    4  CA  UNL     1      -1.018   1.370   0.484  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.152   0.966  -0.421  1.00  0.00           C  
HETATM    6  C   UNL     1       0.020   3.397  -0.403  1.00  0.00           C  
HETATM    7  CA  UNL     1      -4.501   0.440  -0.803  1.00  0.00           C  
HETATM    8  C   UNL     1       0.369   3.576   1.076  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.583  -0.264   0.019  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.027  -1.576   0.575  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.692  -2.553  -0.575  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.085  -3.914   0.042  1.00  0.00           C  
HETATM   13  C   UNL     1       0.292   4.992   1.652  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.085  -2.299   1.380  1.00  0.00           C  
HETATM   15  C   UNL     1       1.475   2.689   1.652  1.00  0.00           C  
HETATM   16  C   UNL     1       1.781  -2.318  -1.597  1.00  0.00           C  
HETATM   17  C   UNL     1       7.290   0.261   1.191  1.00  0.00           C  
HETATM   18  C   UNL     1       7.401  -1.577  -0.497  1.00  0.00           C  
HETATM   19  C   UNL     1       7.666  -2.095   1.933  1.00  0.00           C  
HETATM   20  C   UNL     1       2.264  -0.890  -1.863  1.00  0.00           C  
HETATM   21  C   UNL     1       1.243  -0.161  -2.738  1.00  0.00           C  
HETATM   22  C   UNL     1       3.614  -0.934  -2.583  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.988   2.905   0.656  1.00  0.00           C  
HETATM   24  C   UNL     1       6.949  -1.205   0.916  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.093   1.686  -1.465  1.00  0.00           C  
HETATM   26  C   UNL     1       4.662  -0.714   0.230  1.00  0.00           C  
HETATM   27  N   UNL     1       3.331  -0.893   0.338  1.00  0.00           N  
HETATM   28  N   UNL     1       0.282   1.031  -0.134  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.398   0.833   0.077  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.099  -3.604   1.057  1.00  0.00           N  
HETATM   31  N   UNL     1       5.501  -1.399   1.032  1.00  0.00           N  
HETATM   32  O   UNL     1      -6.813  -1.778   2.197  1.00  0.00           O  
HETATM   33  O   UNL     1       5.107   0.066  -0.590  1.00  0.00           O  
HETATM   34  O   UNL     1       0.703  -0.881   0.911  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.945   0.761  -1.598  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.684   2.521  -0.468  1.00  0.00           O  
HETATM   37  HA  UNL     1       2.825   0.846  -0.719  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.076   1.940  -2.020  1.00  0.00           H  
HETATM   39  H   UNL     1       1.567   2.197  -1.358  1.00  0.00           H  
HETATM   40  HA  UNL     1      -1.115   0.884   1.455  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.176   4.275  -1.019  1.00  0.00           H  
HETATM   42  HA  UNL     1      -4.129  -0.238  -1.571  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.889   0.380   0.843  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.443  -0.474  -0.617  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.144  -1.387   1.185  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.293  -2.337  -1.458  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.629  -2.526  -0.813  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.505  -4.567  -0.723  1.00  0.00           H  
HETATM   49  H   UNL     1       1.297   5.345   1.883  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.167   5.657   0.921  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.308   4.982   2.562  1.00  0.00           H  
HETATM   52  H   UNL     1       2.345   3.302   1.890  1.00  0.00           H  
HETATM   53  H   UNL     1       1.115   2.202   2.558  1.00  0.00           H  
HETATM   54  H   UNL     1       1.753   1.933   0.918  1.00  0.00           H  
HETATM   55  H   UNL     1       0.820  -2.286  -1.084  1.00  0.00           H  
HETATM   56  H   UNL     1       1.671  -2.846  -2.544  1.00  0.00           H  
HETATM   57  H   UNL     1       2.509  -2.837  -0.974  1.00  0.00           H  
HETATM   58  H   UNL     1       8.366   0.406   1.104  1.00  0.00           H  
HETATM   59  H   UNL     1       6.778   0.895   0.467  1.00  0.00           H  
HETATM   60  H   UNL     1       6.967   0.527   2.198  1.00  0.00           H  
HETATM   61  H   UNL     1       8.478  -1.432  -0.584  1.00  0.00           H  
HETATM   62  H   UNL     1       7.158  -2.622  -0.693  1.00  0.00           H  
HETATM   63  H   UNL     1       6.890  -0.943  -1.222  1.00  0.00           H  
HETATM   64  H   UNL     1       7.344  -1.829   2.940  1.00  0.00           H  
HETATM   65  H   UNL     1       7.423  -3.139   1.737  1.00  0.00           H  
HETATM   66  H   UNL     1       8.743  -1.950   1.846  1.00  0.00           H  
HETATM   67  H   UNL     1       1.611   0.838  -2.972  1.00  0.00           H  
HETATM   68  H   UNL     1       1.093  -0.719  -3.663  1.00  0.00           H  
HETATM   69  H   UNL     1       0.296  -0.083  -2.204  1.00  0.00           H  
HETATM   70  H   UNL     1       4.341  -1.454  -1.960  1.00  0.00           H  
HETATM   71  H   UNL     1       3.503  -1.463  -3.530  1.00  0.00           H  
HETATM   72  H   UNL     1       3.957   0.083  -2.773  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.932   3.409   0.861  1.00  0.00           H  
HETATM   74  H1  UNL     1      -4.303   2.235  -1.977  1.00  0.00           H  
HETATM   75  H2  UNL     1      -5.854   1.387  -2.186  1.00  0.00           H  
HETATM   76  H   UNL     1       2.976  -1.515   0.992  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.563   0.998   1.019  1.00  0.00           H  
HETATM   78  H   UNL     1       5.147  -2.022   1.687  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.081   3.331  -0.817  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.217  -4.383   0.504  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.701  -4.258   1.446  1.00  0.00           H  
CONECT    1    2   27   20   37                                       
CONECT    2   34   34   28    1                                       
CONECT    3    6   28   38   39                                       
CONECT    4   23    5   28   40                                       
CONECT    5   29    4   35   35                                       
CONECT    6   23    8    3   41                                       
CONECT    7   25    9   29   42                                       
CONECT    8   13   23   15    6                                       
CONECT    9    7   10   43   44                                       
CONECT   10    9   14   11   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   30   11   48   80                                       
CONECT   13    8   49   50   51                                       
CONECT   14   32   32   10   30                                       
CONECT   15    8   52   53   54                                       
CONECT   16   20   55   56   57                                       
CONECT   17   24   58   59   60                                       
CONECT   18   24   61   62   63                                       
CONECT   19   24   64   65   66                                       
CONECT   20    1   21   22   16                                       
CONECT   21   20   67   68   69                                       
CONECT   22   20   70   71   72                                       
CONECT   23    4    8    6   73                                       
CONECT   24   17   31   19   18                                       
CONECT   25   36    7   74   75                                       
CONECT   26   27   31   33   33                                       
CONECT   27    1   26   76                                            
CONECT   28    4    2    3                                            
CONECT   29    7    5   77                                            
CONECT   30   14   12   81                                            
CONECT   31   26   24   78                                            
CONECT   32   14   14                                                 
CONECT   33   26   26                                                 
CONECT   34    2    2                                                 
CONECT   35    5    5                                                 
CONECT   36   25   79                                                 
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   31                                                      
CONECT   79   36                                                      
CONECT   80   12                                                      
CONECT   81   30                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
