COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.803  -1.224   0.427  1.00  0.00           C  
HETATM    2  C   UNL     1       0.689   1.177  -0.491  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.884  -2.131  -0.166  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.483   2.090  -0.124  1.00  0.00           C  
HETATM    5  C   UNL     1       2.607   2.670  -0.654  1.00  0.00           C  
HETATM    6  C   UNL     1       3.885   3.247  -0.102  1.00  0.00           C  
HETATM    7  C   UNL     1       4.946   2.147  -0.018  1.00  0.00           C  
HETATM    8  C   UNL     1       6.202   2.701   0.657  1.00  0.00           C  
HETATM    9  C   UNL     1       1.684  -2.015   0.821  1.00  0.00           C  
HETATM   10  C   UNL     1       2.845  -2.964   0.515  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.949  -1.264  -0.843  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.781   1.505  -0.684  1.00  0.00           C  
HETATM   13  C   UNL     1       6.521  -2.450   0.188  1.00  0.00           C  
HETATM   14  C   UNL     1       7.633  -3.454  -0.123  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.224  -0.433  -0.612  1.00  0.00           O  
HETATM   16  N   UNL     1      -4.280  -3.031  -1.157  1.00  0.00           N  
HETATM   17  O   UNL     1      -7.039  -2.083  -1.271  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.451  -0.227   0.169  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.337   0.687  -0.481  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.253   0.537   0.736  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.379  -0.367   1.410  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.748   1.597   1.723  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.645   2.393   2.160  1.00  0.00           O  
HETATM   24  N   UNL     1       1.931   1.737   0.046  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.906   2.381  -0.331  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.012   0.114  -0.089  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.840  -0.799  -0.456  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.056  -2.098   0.099  1.00  0.00           O  
HETATM   29  C   UNL     1       0.458  -0.214   0.104  1.00  0.00           C  
HETATM   30  O   UNL     1       1.552  -1.066  -0.239  1.00  0.00           O  
HETATM   31  N   UNL     1       4.105  -2.209   0.509  1.00  0.00           N  
HETATM   32  C   UNL     1       5.173  -3.173   0.210  1.00  0.00           C  
HETATM   33  N   UNL     1       8.928  -2.760  -0.144  1.00  0.00           N  
HETATM   34  O   UNL     1       2.186   3.046  -1.728  1.00  0.00           O  
HETATM   35  N   UNL     1       7.221   1.646   0.738  1.00  0.00           N  
HETATM   36  O   UNL     1       4.348   4.290  -0.962  1.00  0.00           O  
HETATM   37  H   UNL     1      -3.029  -1.837   0.890  1.00  0.00           H  
HETATM   38  H   UNL     1       0.763   1.100  -1.576  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.343  -2.719   0.629  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.318   3.081  -0.548  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.558   2.167   0.961  1.00  0.00           H  
HETATM   42  H   UNL     1       3.701   3.651   0.893  1.00  0.00           H  
HETATM   43  H   UNL     1       4.558   1.312   0.566  1.00  0.00           H  
HETATM   44  H   UNL     1       5.194   1.804  -1.022  1.00  0.00           H  
HETATM   45  H   UNL     1       6.590   3.536   0.073  1.00  0.00           H  
HETATM   46  H   UNL     1       5.954   3.044   1.661  1.00  0.00           H  
HETATM   47  H   UNL     1       0.761  -2.588   0.914  1.00  0.00           H  
HETATM   48  H   UNL     1       1.881  -1.490   1.756  1.00  0.00           H  
HETATM   49  H   UNL     1       2.691  -3.422  -0.462  1.00  0.00           H  
HETATM   50  H   UNL     1       2.890  -3.741   1.278  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.514  -0.755  -1.703  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.706   1.428  -1.769  1.00  0.00           H  
HETATM   53  H   UNL     1       6.705  -1.995   1.161  1.00  0.00           H  
HETATM   54  H   UNL     1       6.506  -1.676  -0.579  1.00  0.00           H  
HETATM   55  H   UNL     1       7.449  -3.910  -1.096  1.00  0.00           H  
HETATM   56  H   UNL     1       7.648  -4.229   0.644  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.588  -3.579  -0.668  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.005  -3.671  -1.447  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.688  -1.494  -1.678  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.978  -0.732   0.978  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.623   1.324   0.189  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.715   1.023  -0.077  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.484   2.234   1.232  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.207   1.107   2.582  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.000   3.046   2.779  1.00  0.00           H  
HETATM   66  H   UNL     1       2.268   1.437   0.904  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.644   3.315  -0.609  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.680   2.110  -0.919  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.086   0.191   0.996  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.766  -0.876  -1.541  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.811  -2.480  -0.369  1.00  0.00           H  
HETATM   72  H   UNL     1       0.383  -0.137   1.189  1.00  0.00           H  
HETATM   73  H   UNL     1       4.258  -1.892   1.454  1.00  0.00           H  
HETATM   74  H   UNL     1       4.989  -3.629  -0.763  1.00  0.00           H  
HETATM   75  H   UNL     1       5.188  -3.948   0.977  1.00  0.00           H  
HETATM   76  H   UNL     1       9.103  -2.445   0.798  1.00  0.00           H  
HETATM   77  H   UNL     1       9.627  -3.457  -0.352  1.00  0.00           H  
HETATM   78  H   UNL     1       8.027   2.054   1.187  1.00  0.00           H  
HETATM   79  H   UNL     1       6.862   0.944   1.368  1.00  0.00           H  
HETATM   80  H   UNL     1       4.498   3.891  -1.830  1.00  0.00           H  
CONECT    1    3   15   21   37                                       
CONECT    2    4   24   29   38                                       
CONECT    3    1   11   16   39                                       
CONECT    4    2   12   40   41                                       
CONECT    5    6   24   34   34                                       
CONECT    6    5    7   36   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7   35   45   46                                       
CONECT    9   10   30   47   48                                       
CONECT   10    9   31   49   50                                       
CONECT   11    3   17   18   51                                       
CONECT   12    4   25   26   52                                       
CONECT   13   14   32   53   54                                       
CONECT   14   13   33   55   56                                       
CONECT   15    1   26                                                 
CONECT   16    3   57   58                                            
CONECT   17   11   59                                                 
CONECT   18   11   19   20   60                                       
CONECT   19   18   61                                                 
CONECT   20   18   21   22   62                                       
CONECT   21    1   20                                                 
CONECT   22   20   23   63   64                                       
CONECT   23   22   65                                                 
CONECT   24    2    5   66                                            
CONECT   25   12   67   68                                            
CONECT   26   12   15   27   69                                       
CONECT   27   26   28   29   70                                       
CONECT   28   27   71                                                 
CONECT   29    2   27   30   72                                       
CONECT   30    9   29                                                 
CONECT   31   10   32   73                                            
CONECT   32   13   31   74   75                                       
CONECT   33   14   76   77                                            
CONECT   34    5    5                                                 
CONECT   35    8   78   79                                            
CONECT   36    6   80                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
