COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.486   1.655   2.406  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.829   2.791   0.758  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.907   1.727   0.541  1.00  0.00           C  
HETATM    4  O   UNL     1       0.710  -0.264   1.744  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.260  -0.476   0.002  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.566   3.484  -0.506  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.529  -0.414   1.522  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.291   1.069   1.885  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.595  -1.734  -0.347  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.279  -2.050  -0.116  1.00  0.00           C  
HETATM   11  O   UNL     1       3.525  -0.501   1.032  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.159  -3.783  -1.091  1.00  0.00           C  
HETATM   13  O   UNL     1       6.398  -0.475   3.102  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.173  -2.817  -0.960  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.649  -4.258  -1.975  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.031  -3.260  -0.560  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.485  -5.009  -1.699  1.00  0.00           C  
HETATM   18  O   UNL     1       4.304   0.087   4.436  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.322  -1.190   0.513  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.537  -0.485   1.028  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.391  -3.096  -1.412  1.00  0.00           N  
HETATM   22  N   UNL     1       0.013   7.990  -2.749  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.022   6.969  -2.958  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.037   4.780   0.446  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.297   6.245  -1.638  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.553   0.399   1.675  1.00  0.00           C  
HETATM   27  C   UNL     1       1.741   0.512   2.358  1.00  0.00           C  
HETATM   28  C   UNL     1       3.042  -0.293   2.377  1.00  0.00           C  
HETATM   29  C   UNL     1       4.931  -0.801   1.175  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.375   5.181  -1.855  1.00  0.00           C  
HETATM   31  C   UNL     1       5.432   0.168   2.269  1.00  0.00           C  
HETATM   32  C   UNL     1       4.161   0.509   3.079  1.00  0.00           C  
HETATM   33  C   UNL     1       5.232   0.278  -1.087  1.00  0.00           C  
HETATM   34  C   UNL     1       7.099  -0.602  -1.752  1.00  0.00           C  
HETATM   35  C   UNL     1       6.820  -1.125  -0.478  1.00  0.00           C  
HETATM   36  C   UNL     1       8.759  -2.355  -0.579  1.00  0.00           C  
HETATM   37  C   UNL     1       8.273  -1.021  -2.399  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.646   4.468  -0.555  1.00  0.00           C  
HETATM   39  N   UNL     1       9.063  -1.890  -1.777  1.00  0.00           N  
HETATM   40  N   UNL     1       8.600  -0.541  -3.655  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.731  -5.196  -2.119  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.530  -5.998  -1.855  1.00  0.00           N  
HETATM   43  N   UNL     1       5.635  -0.556  -0.087  1.00  0.00           N  
HETATM   44  N   UNL     1       6.092   0.250  -2.063  1.00  0.00           N  
HETATM   45  N   UNL     1       7.670  -1.990   0.065  1.00  0.00           N  
HETATM   46  O   UNL     1      -4.391   0.646  -0.265  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.878  -0.790   1.808  1.00  0.00           O  
HETATM   48  H   UNL     1      -6.773   1.278   3.249  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.173   3.510   1.502  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.914   2.315   1.109  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.785   2.168   0.070  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.193  -0.375  -0.553  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.052   3.234  -1.306  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.831  -1.055   2.060  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.476   1.161   2.602  1.00  0.00           H  
HETATM   56  H   UNL     1       6.702   0.067   3.843  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.650  -4.451  -2.331  1.00  0.00           H  
HETATM   58  H   UNL     1       5.031   0.516   4.907  1.00  0.00           H  
HETATM   59  H   UNL     1       0.213   8.483  -3.607  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.254   8.632  -2.018  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.937   7.445  -3.309  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.678   6.250  -3.701  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.382   5.768  -1.287  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.641   6.964  -0.894  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.891   0.644   2.682  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.451   1.316   1.093  1.00  0.00           H  
HETATM   67  H   UNL     1       1.891   1.430   1.791  1.00  0.00           H  
HETATM   68  H   UNL     1       1.451   0.758   3.379  1.00  0.00           H  
HETATM   69  H   UNL     1       2.888  -1.250   2.878  1.00  0.00           H  
HETATM   70  H   UNL     1       5.068  -1.835   1.491  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.290   5.658  -2.206  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.032   4.462  -2.599  1.00  0.00           H  
HETATM   73  H   UNL     1       5.853   1.068   1.822  1.00  0.00           H  
HETATM   74  H   UNL     1       3.954   1.578   3.031  1.00  0.00           H  
HETATM   75  H   UNL     1       4.330   0.872  -1.072  1.00  0.00           H  
HETATM   76  H   UNL     1       9.429  -3.060  -0.110  1.00  0.00           H  
HETATM   77  H   UNL     1       8.015   0.094  -4.099  1.00  0.00           H  
HETATM   78  H   UNL     1       9.413  -0.838  -4.092  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.767  -6.839  -2.276  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.623  -5.850  -1.544  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.101  -0.768   2.748  1.00  0.00           H  
CONECT    1    8   48                                                 
CONECT    2    6    3   49   50                                       
CONECT    3   46    2    8   51                                       
CONECT    4   27   26                                                 
CONECT    5   46    9    7   52                                       
CONECT    6   38    2   53                                            
CONECT    7    5    8   47   54                                       
CONECT    8    3    7    1   55                                       
CONECT    9   10   14    5                                            
CONECT   10   16   16   19    9                                       
CONECT   11   29   28                                                 
CONECT   12   17   16   14   14                                       
CONECT   13   31   56                                                 
CONECT   14   12   12   21    9                                       
CONECT   15   41   21   21   57                                       
CONECT   16   12   10   10                                            
CONECT   17   42   41   41   12                                       
CONECT   18   32   58                                                 
CONECT   19   10   20   20   20                                       
CONECT   20   26   19   19   19                                       
CONECT   21   15   15   14                                            
CONECT   22   23   59   60                                            
CONECT   23   25   22   61   62                                       
CONECT   24   38   38                                                 
CONECT   25   30   23   63   64                                       
CONECT   26    4   20   65   66                                       
CONECT   27   28    4   67   68                                       
CONECT   28   32   11   27   69                                       
CONECT   29   31   43   11   70                                       
CONECT   30   38   25   71   72                                       
CONECT   31   13   32   29   73                                       
CONECT   32   31   18   28   74                                       
CONECT   33   44   44   43   75                                       
CONECT   34   44   37   37   35                                       
CONECT   35   34   43   45   45                                       
CONECT   36   39   39   45   76                                       
CONECT   37   40   34   34   39                                       
CONECT   38   24   24    6   30                                       
CONECT   39   37   36   36                                            
CONECT   40   37   77   78                                            
CONECT   41   17   17   15                                            
CONECT   42   17   79   80                                            
CONECT   43   33   35   29                                            
CONECT   44   34   33   33                                            
CONECT   45   35   35   36                                            
CONECT   46    3    5                                                 
CONECT   47    7   81                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   36                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   47                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
