COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.197   2.376   1.043  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.052   3.138   0.630  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.667   1.947   0.171  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.607   0.902   0.146  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.907   1.154   0.603  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.688  -3.523   0.186  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.636   0.134  -0.660  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.840  -3.507  -2.059  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.310  -2.250  -1.856  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.905  -0.266  -0.401  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.528  -4.143  -1.041  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.167  -2.263   0.398  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.284   3.330   1.050  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.473  -1.617  -0.624  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.253   2.220  -0.464  1.00  0.00           C  
HETATM   16  C   UNL     1       0.590   0.306  -1.286  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.463   2.203   0.855  1.00  0.00           C  
HETATM   18  C   UNL     1       3.898  -0.019  -0.520  1.00  0.00           C  
HETATM   19  C   UNL     1       4.796   1.228  -0.737  1.00  0.00           C  
HETATM   20  C   UNL     1       5.371   1.478   0.673  1.00  0.00           C  
HETATM   21  C   UNL     1       4.473   2.487   1.400  1.00  0.00           C  
HETATM   22  C   UNL     1       0.007   2.062   0.420  1.00  0.00           C  
HETATM   23  C   UNL     1       4.596  -0.755   0.643  1.00  0.00           C  
HETATM   24  C   UNL     1       3.059  -0.815   2.645  1.00  0.00           C  
HETATM   25  C   UNL     1       2.990  -2.582   1.329  1.00  0.00           C  
HETATM   26  C   UNL     1       2.103  -2.745   2.400  1.00  0.00           C  
HETATM   27  C   UNL     1       1.347  -3.937   2.477  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.053   1.676  -1.065  1.00  0.00           C  
HETATM   29  C   UNL     1       2.395  -4.652   0.493  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.866   0.157   0.598  1.00  0.00           N  
HETATM   31  N   UNL     1       3.584  -1.362   1.510  1.00  0.00           N  
HETATM   32  N   UNL     1       2.189  -1.630   3.166  1.00  0.00           N  
HETATM   33  N   UNL     1       1.515  -4.868   1.512  1.00  0.00           N  
HETATM   34  N   UNL     1       2.545  -5.614  -0.473  1.00  0.00           N  
HETATM   35  N   UNL     1       3.105  -3.548   0.411  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.490   1.451  -0.321  1.00  0.00           N  
HETATM   37  O   UNL     1       1.598   0.399  -2.294  1.00  0.00           O  
HETATM   38  O   UNL     1       3.020  -0.679  -4.083  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.661   3.433   1.557  1.00  0.00           O  
HETATM   40  O   UNL     1       3.852  -0.807  -1.700  1.00  0.00           O  
HETATM   41  O   UNL     1       5.845   0.935  -1.659  1.00  0.00           O  
HETATM   42  O   UNL     1       3.126   2.336   0.951  1.00  0.00           O  
HETATM   43  O   UNL     1       0.700   3.301   0.592  1.00  0.00           O  
HETATM   44  O   UNL     1       2.753   4.931   0.833  1.00  0.00           O  
HETATM   45  O   UNL     1       2.462   3.480  -1.204  1.00  0.00           O  
HETATM   46  O   UNL     1       5.333   0.229   1.369  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.426   1.623  -1.464  1.00  0.00           O  
HETATM   48  O   UNL     1       0.563  -4.122   3.393  1.00  0.00           O  
HETATM   49  O   UNL     1       1.781  -2.214  -2.503  1.00  0.00           O  
HETATM   50  P   UNL     1       2.571  -0.823  -2.681  1.00  0.00           P  
HETATM   51  P   UNL     1       2.263   3.504   0.264  1.00  0.00           P  
HETATM   52  H   UNL     1      -7.226  -4.023   0.977  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.858  -0.492  -1.072  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.718  -3.996  -3.014  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.769  -1.756  -2.650  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.941  -5.127  -1.203  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.297  -1.777   1.354  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.560   4.308   1.414  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.486   3.248  -0.737  1.00  0.00           H  
HETATM   60  H   UNL     1       1.034  -0.047  -0.357  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.167  -0.407  -1.608  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.770   1.360   1.469  1.00  0.00           H  
HETATM   63  H   UNL     1       2.902   0.295  -0.210  1.00  0.00           H  
HETATM   64  H   UNL     1       4.208   2.078  -1.075  1.00  0.00           H  
HETATM   65  H   UNL     1       6.385   1.837   0.603  1.00  0.00           H  
HETATM   66  H   UNL     1       4.521   2.300   2.476  1.00  0.00           H  
HETATM   67  H   UNL     1       4.823   3.499   1.194  1.00  0.00           H  
HETATM   68  H   UNL     1       0.504   1.281   0.996  1.00  0.00           H  
HETATM   69  H   UNL     1       5.259  -1.519   0.252  1.00  0.00           H  
HETATM   70  H   UNL     1       3.329   0.148   3.052  1.00  0.00           H  
HETATM   71  H   UNL     1       0.468   2.420  -1.667  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.763   0.344   0.917  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.642  -0.730   0.274  1.00  0.00           H  
HETATM   74  H   UNL     1       1.008  -5.694   1.544  1.00  0.00           H  
HETATM   75  H   UNL     1       2.029  -6.434  -0.425  1.00  0.00           H  
HETATM   76  H   UNL     1       3.167  -5.475  -1.204  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.570   3.574   1.855  1.00  0.00           H  
HETATM   78  H   UNL     1       6.437   1.680  -1.832  1.00  0.00           H  
HETATM   79  H   UNL     1       3.685   5.123   0.661  1.00  0.00           H  
HETATM   80  H   UNL     1       0.991  -2.292  -3.056  1.00  0.00           H  
CONECT    1   13   13    5                                            
CONECT    2   13    3    3                                            
CONECT    3    2    2    4   36                                       
CONECT    4    5    5    3   10                                       
CONECT    5    1   30    4    4                                       
CONECT    6   12   12   11   52                                       
CONECT    7   36   10   10   53                                       
CONECT    8    9   11   11   54                                       
CONECT    9   14   14    8   55                                       
CONECT   10    4   14    7    7                                       
CONECT   11    8    8    6   56                                       
CONECT   12   14    6    6   57                                       
CONECT   13    1    1    2   58                                       
CONECT   14   10    9    9   12                                       
CONECT   15   17   36   47   59                                       
CONECT   16   28   37   60   61                                       
CONECT   17   39   22   15   62                                       
CONECT   18   23   19   40   63                                       
CONECT   19   20   18   41   64                                       
CONECT   20   21   46   19   65                                       
CONECT   21   42   20   66   67                                       
CONECT   22   43   17   28   68                                       
CONECT   23   46   31   18   69                                       
CONECT   24   32   32   31   70                                       
CONECT   25   26   26   31   35                                       
CONECT   26   32   27   25   25                                       
CONECT   27   26   48   48   33                                       
CONECT   28   22   16   47   71                                       
CONECT   29   33   35   35   34                                       
CONECT   30    5   72   73                                            
CONECT   31   24   23   25                                            
CONECT   32   24   24   26                                            
CONECT   33   27   29   74                                            
CONECT   34   29   75   76                                            
CONECT   35   25   29   29                                            
CONECT   36    3   15    7                                            
CONECT   37   16   50                                                 
CONECT   38   50   50                                                 
CONECT   39   17   77                                                 
CONECT   40   18   50                                                 
CONECT   41   19   78                                                 
CONECT   42   21   51                                                 
CONECT   43   51   22                                                 
CONECT   44   51   79                                                 
CONECT   45   51   51                                                 
CONECT   46   20   23                                                 
CONECT   47   15   28                                                 
CONECT   48   27   27                                                 
CONECT   49   50   80                                                 
CONECT   50   40   37   38   38                                       
CONECT   50   49                                                      
CONECT   51   45   45   44   42                                       
CONECT   51   43                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   44                                                      
CONECT   80   49                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
