COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -3.532  -0.314  -0.315  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.686   0.689  -2.734  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.652  -2.974   0.295  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.646  -3.871   1.067  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.669  -3.194   2.455  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.789  -2.360   1.376  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.125  -0.060  -2.090  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.812   2.299   0.337  1.00  0.00           C  
HETATM    9  C   UNL     1       0.643   5.529   0.850  1.00  0.00           C  
HETATM   10  C   UNL     1       0.712  -0.373  -0.364  1.00  0.00           C  
HETATM   11  C   UNL     1       4.226  -1.270   0.098  1.00  0.00           C  
HETATM   12  C   UNL     1       1.379   0.683  -2.915  1.00  0.00           C  
HETATM   13  C   UNL     1       1.895  -1.756  -2.747  1.00  0.00           C  
HETATM   14  C   UNL     1       3.746  -0.080  -2.674  1.00  0.00           C  
HETATM   15  C   UNL     1       6.585  -0.987   1.867  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.300   0.076  -0.697  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.456   3.014   0.404  1.00  0.00           C  
HETATM   18  C   UNL     1       0.329   4.984   2.263  1.00  0.00           C  
HETATM   19  C   UNL     1       0.465   2.127  -0.441  1.00  0.00           C  
HETATM   20  C   UNL     1       2.166  -0.281  -0.749  1.00  0.00           C  
HETATM   21  C   UNL     1       6.341  -2.161   0.916  1.00  0.00           C  
HETATM   22  C   UNL     1       2.296  -0.358  -2.271  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.398  -1.030  -1.255  1.00  0.00           C  
HETATM   24  C   UNL     1       7.074  -1.911  -0.403  1.00  0.00           C  
HETATM   25  C   UNL     1       6.863  -3.450   1.554  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.400  -1.885  -0.476  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.407   0.808   0.272  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.380  -2.502   2.575  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.012   0.751  -0.193  1.00  0.00           N  
HETATM   30  N   UNL     1       2.904  -1.390  -0.138  1.00  0.00           N  
HETATM   31  N   UNL     1       4.904  -2.291   0.659  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.910  -0.161  -1.821  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.721  -1.818   1.188  1.00  0.00           O  
HETATM   34  O   UNL     1       4.805  -0.243  -0.195  1.00  0.00           O  
HETATM   35  O   UNL     1       0.194  -1.458  -0.208  1.00  0.00           O  
HETATM   36  S   UNL     1       0.137   3.177   2.108  1.00  0.00           S  
HETATM   37  S   UNL     1      -0.557   4.702  -0.259  1.00  0.00           S  
HETATM   38  H   UNL     1      -3.844  -0.125   0.584  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.044  -3.571  -0.384  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.633  -3.847   0.605  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.275  -4.893   1.138  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.489  -2.477   2.512  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.768  -3.944   3.240  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.400   2.501   1.232  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.362   2.589  -0.558  1.00  0.00           H  
HETATM   46  H   UNL     1       0.503   6.609   0.821  1.00  0.00           H  
HETATM   47  H   UNL     1       1.663   5.273   0.564  1.00  0.00           H  
HETATM   48  H   UNL     1       0.356   0.528  -2.573  1.00  0.00           H  
HETATM   49  H   UNL     1       1.709   1.683  -2.632  1.00  0.00           H  
HETATM   50  H   UNL     1       1.419   0.581  -4.000  1.00  0.00           H  
HETATM   51  H   UNL     1       2.548  -2.498  -2.288  1.00  0.00           H  
HETATM   52  H   UNL     1       0.862  -1.954  -2.460  1.00  0.00           H  
HETATM   53  H   UNL     1       1.987  -1.811  -3.832  1.00  0.00           H  
HETATM   54  H   UNL     1       3.839  -0.135  -3.758  1.00  0.00           H  
HETATM   55  H   UNL     1       4.032   0.916  -2.335  1.00  0.00           H  
HETATM   56  H   UNL     1       4.399  -0.822  -2.215  1.00  0.00           H  
HETATM   57  H   UNL     1       7.654  -0.891   2.058  1.00  0.00           H  
HETATM   58  H   UNL     1       6.213  -0.069   1.413  1.00  0.00           H  
HETATM   59  H   UNL     1       6.062  -1.166   2.806  1.00  0.00           H  
HETATM   60  H   UNL     1       1.151   5.213   2.941  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.596   5.425   2.634  1.00  0.00           H  
HETATM   62  H   UNL     1       0.369   2.378  -1.498  1.00  0.00           H  
HETATM   63  H   UNL     1       1.500   2.235  -0.116  1.00  0.00           H  
HETATM   64  H   UNL     1       2.576   0.666  -0.397  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.790  -1.673  -1.891  1.00  0.00           H  
HETATM   66  H   UNL     1       8.143  -1.814  -0.211  1.00  0.00           H  
HETATM   67  H   UNL     1       6.900  -2.747  -1.080  1.00  0.00           H  
HETATM   68  H   UNL     1       6.702  -0.992  -0.857  1.00  0.00           H  
HETATM   69  H   UNL     1       6.341  -3.629   2.493  1.00  0.00           H  
HETATM   70  H   UNL     1       6.689  -4.286   0.877  1.00  0.00           H  
HETATM   71  H   UNL     1       7.932  -3.354   1.745  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.101  -2.348  -1.171  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.947  -1.254   0.225  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.489   0.358   1.262  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.003  -2.187   3.411  1.00  0.00           H  
HETATM   76  H   UNL     1       2.441  -2.210   0.095  1.00  0.00           H  
HETATM   77  H   UNL     1       4.442  -3.111   0.893  1.00  0.00           H  
CONECT    1   16   23   38                                            
CONECT    2    7    7    7                                            
CONECT    3    4   26    6   39                                       
CONECT    4    5    3   40   41                                       
CONECT    5    4   28   42   43                                       
CONECT    6    3   28   33   33                                       
CONECT    7   23    2    2    2                                       
CONECT    8   17   27   44   45                                       
CONECT    9   37   18   46   47                                       
CONECT   10   20   29   35   35                                       
CONECT   11   34   34   30   31                                       
CONECT   12   22   48   49   50                                       
CONECT   13   22   51   52   53                                       
CONECT   14   22   54   55   56                                       
CONECT   15   21   57   58   59                                       
CONECT   16   32   32   27    1                                       
CONECT   17   37   19    8   36                                       
CONECT   18    9   36   60   61                                       
CONECT   19   17   29   62   63                                       
CONECT   20   22   30   10   64                                       
CONECT   21   24   31   15   25                                       
CONECT   22   13   14   20   12                                       
CONECT   23    1    7   26   65                                       
CONECT   24   21   66   67   68                                       
CONECT   25   21   69   70   71                                       
CONECT   26   23    3   72   73                                       
CONECT   27   29    8   16   74                                       
CONECT   28    5    6   75                                            
CONECT   29   19   10   27                                            
CONECT   30   20   11   76                                            
CONECT   31   11   21   77                                            
CONECT   32   16   16                                                 
CONECT   33    6    6                                                 
CONECT   34   11   11                                                 
CONECT   35   10   10                                                 
CONECT   36   17   18                                                 
CONECT   37    9   17                                                 
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
