COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.458  -2.315  -2.152  1.00  0.00           C  
HETATM    2  C   UNL     1       4.599  -3.111  -2.882  1.00  0.00           C  
HETATM    3  C   UNL     1       3.272  -3.225  -2.507  1.00  0.00           C  
HETATM    4  C   UNL     1       2.798  -2.543  -1.401  1.00  0.00           C  
HETATM    5  C   UNL     1       3.648  -1.745  -0.663  1.00  0.00           C  
HETATM    6  C   UNL     1       4.986  -1.625  -1.035  1.00  0.00           C  
HETATM    7  C   UNL     1       5.905  -0.774  -0.244  1.00  0.00           C  
HETATM    8  C   UNL     1       7.133  -1.273   0.184  1.00  0.00           C  
HETATM    9  C   UNL     1       7.960  -0.429   0.926  1.00  0.00           C  
HETATM   10  C   UNL     1       9.270  -0.864   1.419  1.00  0.00           C  
HETATM   11  O   UNL     1       9.671  -1.991   1.188  1.00  0.00           O  
HETATM   12  N   UNL     1      10.025  -0.004   2.131  1.00  0.00           N  
HETATM   13  C   UNL     1       9.611   1.265   2.410  1.00  0.00           C  
HETATM   14  C   UNL     1       8.427   1.746   1.997  1.00  0.00           C  
HETATM   15  C   UNL     1       7.532   0.890   1.217  1.00  0.00           C  
HETATM   16  N   UNL     1       6.352   1.324   0.789  1.00  0.00           N  
HETATM   17  C   UNL     1       5.548   0.551   0.078  1.00  0.00           C  
HETATM   18  C   UNL     1       4.246   1.084  -0.383  1.00  0.00           C  
HETATM   19  C   UNL     1       3.723   0.689  -1.613  1.00  0.00           C  
HETATM   20  C   UNL     1       2.509   1.190  -2.037  1.00  0.00           C  
HETATM   21  C   UNL     1       3.534   1.980   0.416  1.00  0.00           C  
HETATM   22  C   UNL     1       2.321   2.474  -0.019  1.00  0.00           C  
HETATM   23  C   UNL     1       1.811   2.083  -1.243  1.00  0.00           C  
HETATM   24  C   UNL     1       0.486   2.626  -1.712  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.596   1.747  -1.249  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.702   1.769   0.215  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.736   0.737   0.669  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.873   2.107  -1.880  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.942   1.084  -1.488  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.091   1.066   0.035  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.072   0.048   0.420  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.385   0.348   0.431  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.757   1.464   0.122  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.375  -0.679   0.819  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.735  -0.371   0.831  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.952  -1.963   1.168  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.878  -2.921   1.529  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.226  -2.614   1.546  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.658  -1.340   1.195  1.00  0.00           C  
HETATM   40  N   UNL     1     -10.024  -1.036   1.210  1.00  0.00           N  
HETATM   41  C   UNL     1     -10.530  -0.165   0.315  1.00  0.00           C  
HETATM   42  O   UNL     1      -9.822   0.282  -0.563  1.00  0.00           O  
HETATM   43  C   UNL     1     -11.974   0.254   0.404  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.290   1.240  -0.722  1.00  0.00           C  
HETATM   45  H   UNL     1       6.495  -2.229  -2.442  1.00  0.00           H  
HETATM   46  H   UNL     1       4.963  -3.645  -3.747  1.00  0.00           H  
HETATM   47  H   UNL     1       2.603  -3.849  -3.082  1.00  0.00           H  
HETATM   48  H   UNL     1       1.761  -2.636  -1.114  1.00  0.00           H  
HETATM   49  H   UNL     1       3.277  -1.212   0.200  1.00  0.00           H  
HETATM   50  H   UNL     1       7.436  -2.282  -0.051  1.00  0.00           H  
HETATM   51  H   UNL     1      10.261   1.908   2.985  1.00  0.00           H  
HETATM   52  H   UNL     1       8.136   2.758   2.240  1.00  0.00           H  
HETATM   53  H   UNL     1       4.267  -0.007  -2.234  1.00  0.00           H  
HETATM   54  H   UNL     1       2.102   0.884  -2.990  1.00  0.00           H  
HETATM   55  H   UNL     1       3.932   2.286   1.372  1.00  0.00           H  
HETATM   56  H   UNL     1       1.770   3.167   0.599  1.00  0.00           H  
HETATM   57  H   UNL     1       0.340   3.627  -1.306  1.00  0.00           H  
HETATM   58  H   UNL     1       0.476   2.671  -2.802  1.00  0.00           H  
HETATM   59  H   UNL     1       0.267   1.529   0.653  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.012   2.762   0.542  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.420  -0.258   0.354  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.826   0.765   1.755  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.177   3.098  -1.543  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.754   2.112  -2.963  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.893   1.360  -1.944  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.645   0.095  -1.837  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.426   2.045   0.380  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.775  -0.842   0.666  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.069   0.619   0.558  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.900  -2.207   1.155  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.548  -3.913   1.799  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.946  -3.367   1.829  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.606  -1.452   1.865  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.614  -0.624   0.308  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.155   0.731   1.367  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.651   2.118  -0.626  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.109   0.763  -1.685  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.335   1.543  -0.657  1.00  0.00           H  
HETATM   79  H   UNL     1      10.891  -0.297   2.455  1.00  0.00           H  
CONECT    1    2    2    6   45                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5   48                                       
CONECT    5    6    6    4   49                                       
CONECT    6    1    7    5    5                                       
CONECT    7    8    6   17   17                                       
CONECT    8    9    9    7   50                                       
CONECT    9   10    8    8   15                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   79                                            
CONECT   13   12   14   14   51                                       
CONECT   14   13   13   15   52                                       
CONECT   15    9   14   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17    7    7   16   18                                       
CONECT   18   17   19   19   21                                       
CONECT   19   18   18   20   53                                       
CONECT   20   19   23   23   54                                       
CONECT   21   18   22   22   55                                       
CONECT   22   21   21   23   56                                       
CONECT   23   20   20   22   24                                       
CONECT   24   23   25   57   58                                       
CONECT   25   24   26   28                                            
CONECT   26   25   27   59   60                                       
CONECT   27   26   30   61   62                                       
CONECT   28   25   29   63   64                                       
CONECT   29   28   30   65   66                                       
CONECT   30   27   29   31   67                                       
CONECT   31   30   32   68                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   35   36                                       
CONECT   35   34   34   39   69                                       
CONECT   36   34   37   37   70                                       
CONECT   37   36   36   38   71                                       
CONECT   38   39   39   37   72                                       
CONECT   39   35   40   38   38                                       
CONECT   40   41   39   73                                            
CONECT   41   42   42   43   40                                       
CONECT   42   41   41                                                 
CONECT   43   44   41   74   75                                       
CONECT   44   43   76   77   78                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
CONECT   74   43                                                      
CONECT   75   43                                                      
CONECT   76   44                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   12                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
