COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.143  -0.225  -1.011  1.00  0.00           O  
HETATM    2  C   UNL     1       0.827   0.777  -0.918  1.00  0.00           C  
HETATM    3  N   UNL     1       0.252   1.960  -0.625  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.144   2.061  -0.545  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.944   1.309  -1.395  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.319   1.408  -1.316  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.901   2.258  -0.387  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.255   2.355  -0.310  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.789   3.141   0.758  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.115   2.689   1.373  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.069   3.932   0.481  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.102   3.009   0.462  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.727   2.908   0.387  1.00  0.00           C  
HETATM   14  N   UNL     1       2.160   0.703  -1.102  1.00  0.00           N  
HETATM   15  C   UNL     1       2.854   1.980  -1.138  1.00  0.00           C  
HETATM   16  C   UNL     1       2.698  -0.651  -1.232  1.00  0.00           C  
HETATM   17  C   UNL     1       3.852  -0.757  -2.233  1.00  0.00           C  
HETATM   18  O   UNL     1       3.792   0.347  -3.138  1.00  0.00           O  
HETATM   19  C   UNL     1       5.226  -0.743  -1.501  1.00  0.00           C  
HETATM   20  O   UNL     1       6.279  -0.886  -2.457  1.00  0.00           O  
HETATM   21  C   UNL     1       5.379   0.578  -0.770  1.00  0.00           C  
HETATM   22  N   UNL     1       4.307   0.682   0.151  1.00  0.00           N  
HETATM   23  C   UNL     1       4.360   0.655   1.583  1.00  0.00           C  
HETATM   24  C   UNL     1       4.197  -0.738   2.196  1.00  0.00           C  
HETATM   25  O   UNL     1       5.169  -0.921   3.228  1.00  0.00           O  
HETATM   26  C   UNL     1       5.102  -2.196   3.869  1.00  0.00           C  
HETATM   27  C   UNL     1       3.667   2.023   0.191  1.00  0.00           C  
HETATM   28  C   UNL     1       3.032   1.454   1.442  1.00  0.00           C  
HETATM   29  C   UNL     1       1.825   0.592   1.177  1.00  0.00           C  
HETATM   30  C   UNL     1       1.986  -0.757   0.911  1.00  0.00           C  
HETATM   31  C   UNL     1       0.886  -1.552   0.668  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.394  -0.993   0.691  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.550   0.370   0.961  1.00  0.00           C  
HETATM   34  C   UNL     1       0.559   1.151   1.207  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.542  -1.811   0.439  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.482  -2.483   0.233  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.630  -3.302  -0.019  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.475  -4.665  -0.284  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.584  -5.448  -0.526  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.849  -4.886  -0.507  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.010  -3.537  -0.246  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.910  -2.743   0.004  1.00  0.00           C  
HETATM   43  H   UNL     1       0.804   2.743  -0.470  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.491   0.647  -2.119  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.941   0.823  -1.977  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.053   3.592   1.423  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.580   1.792   0.964  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.251   2.843   2.444  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.176   4.903   0.964  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.504   3.852  -0.515  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.556   3.671   1.185  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.105   3.490   1.051  1.00  0.00           H  
HETATM   53  H   UNL     1       3.525   2.024  -1.996  1.00  0.00           H  
HETATM   54  H   UNL     1       2.138   2.801  -1.175  1.00  0.00           H  
HETATM   55  H   UNL     1       3.052  -0.981  -0.255  1.00  0.00           H  
HETATM   56  H   UNL     1       1.896  -1.316  -1.554  1.00  0.00           H  
HETATM   57  H   UNL     1       3.756  -1.686  -2.795  1.00  0.00           H  
HETATM   58  H   UNL     1       2.972   0.393  -3.648  1.00  0.00           H  
HETATM   59  H   UNL     1       5.266  -1.564  -0.785  1.00  0.00           H  
HETATM   60  H   UNL     1       6.242  -1.709  -2.962  1.00  0.00           H  
HETATM   61  H   UNL     1       6.329   0.597  -0.235  1.00  0.00           H  
HETATM   62  H   UNL     1       5.338   1.403  -1.481  1.00  0.00           H  
HETATM   63  H   UNL     1       5.184   1.224   2.013  1.00  0.00           H  
HETATM   64  H   UNL     1       3.197  -0.834   2.618  1.00  0.00           H  
HETATM   65  H   UNL     1       4.340  -1.494   1.424  1.00  0.00           H  
HETATM   66  H   UNL     1       5.872  -2.256   4.639  1.00  0.00           H  
HETATM   67  H   UNL     1       4.121  -2.323   4.325  1.00  0.00           H  
HETATM   68  H   UNL     1       5.265  -2.982   3.131  1.00  0.00           H  
HETATM   69  H   UNL     1       4.310   2.893   0.327  1.00  0.00           H  
HETATM   70  H   UNL     1       2.871   2.188   2.231  1.00  0.00           H  
HETATM   71  H   UNL     1       2.977  -1.187   0.894  1.00  0.00           H  
HETATM   72  H   UNL     1       1.014  -2.604   0.460  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.536   0.809   0.980  1.00  0.00           H  
HETATM   74  H   UNL     1       0.441   2.204   1.420  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.488  -5.105  -0.299  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.466  -6.502  -0.731  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.714  -5.504  -0.697  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.000  -3.105  -0.233  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.038  -1.691   0.212  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   14                                       
CONECT    3    4    2   43                                            
CONECT    4    5    3   13   13                                       
CONECT    5    6    6    4   44                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    8   12   12                                       
CONECT    8    9    7                                                 
CONECT    9   10   11    8   46                                       
CONECT   10   11    9   47   48                                       
CONECT   11   10    9   49   50                                       
CONECT   12    7    7   13   51                                       
CONECT   13    4    4   12   52                                       
CONECT   14    2   15   16                                            
CONECT   15   27   14   53   54                                       
CONECT   16   17   14   55   56                                       
CONECT   17   19   18   16   57                                       
CONECT   18   17   58                                                 
CONECT   19   20   21   17   59                                       
CONECT   20   19   60                                                 
CONECT   21   19   22   61   62                                       
CONECT   22   23   21   27                                            
CONECT   23   28   22   24   63                                       
CONECT   24   23   25   64   65                                       
CONECT   25   26   24                                                 
CONECT   26   25   66   67   68                                       
CONECT   27   28   22   15   69                                       
CONECT   28   23   27   29   70                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   71                                       
CONECT   31   30   32   32   72                                       
CONECT   32   31   31   33   35                                       
CONECT   33   34   34   32   73                                       
CONECT   34   29   33   33   74                                       
CONECT   35   32   36   36   36                                       
CONECT   36   35   35   35   37                                       
CONECT   37   36   42   42   38                                       
CONECT   38   37   39   39   75                                       
CONECT   39   38   38   40   76                                       
CONECT   40   41   41   39   77                                       
CONECT   41   42   40   40   78                                       
CONECT   42   37   37   41   79                                       
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
