COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.586   4.692   1.231  1.00  0.00           O  
HETATM    2  C   UNL     1       5.631   4.212   1.601  1.00  0.00           C  
HETATM    3  O   UNL     1       6.442   4.911   2.411  1.00  0.00           O  
HETATM    4  C   UNL     1       6.022   2.826   1.158  1.00  0.00           C  
HETATM    5  C   UNL     1       4.930   2.252   0.254  1.00  0.00           C  
HETATM    6  N   UNL     1       4.849   3.046  -0.980  1.00  0.00           N  
HETATM    7  C   UNL     1       5.266   0.801  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       4.115   0.189  -0.895  1.00  0.00           C  
HETATM    9  O   UNL     1       3.997   0.861  -2.151  1.00  0.00           O  
HETATM   10  C   UNL     1       4.390  -1.274  -1.133  1.00  0.00           C  
HETATM   11  C   UNL     1       3.545  -2.192  -0.676  1.00  0.00           C  
HETATM   12  C   UNL     1       3.814  -3.619  -0.908  1.00  0.00           C  
HETATM   13  C   UNL     1       4.983  -4.037  -1.763  1.00  0.00           C  
HETATM   14  C   UNL     1       3.026  -4.541  -0.364  1.00  0.00           C  
HETATM   15  C   UNL     1       1.780  -4.126   0.375  1.00  0.00           C  
HETATM   16  C   UNL     1       1.926  -4.473   1.857  1.00  0.00           C  
HETATM   17  C   UNL     1       0.573  -4.865  -0.206  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.688  -4.360   0.448  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.142  -4.946   1.760  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.398  -3.399  -0.132  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.628  -2.907   0.507  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.339  -1.945  -0.073  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.599  -1.441   0.581  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.755  -1.766  -0.266  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.509   0.076   0.759  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.354   0.698  -0.518  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.234   2.121  -0.464  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.048   2.663  -1.858  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.968   3.340  -2.159  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.782   3.882  -3.553  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.503   2.716   0.150  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.705   2.387  -0.739  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.718   2.115   1.543  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.627   2.476   2.393  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.790   0.589   1.423  1.00  0.00           C  
HETATM   36  H   UNL     1       6.146   5.794   2.671  1.00  0.00           H  
HETATM   37  H   UNL     1       6.962   2.872   0.608  1.00  0.00           H  
HETATM   38  H   UNL     1       6.143   2.186   2.032  1.00  0.00           H  
HETATM   39  H   UNL     1       3.972   2.289   0.773  1.00  0.00           H  
HETATM   40  H   UNL     1       5.725   3.028  -1.480  1.00  0.00           H  
HETATM   41  H   UNL     1       4.092   2.727  -1.566  1.00  0.00           H  
HETATM   42  H   UNL     1       6.178   0.772  -0.691  1.00  0.00           H  
HETATM   43  H   UNL     1       5.414   0.232   0.823  1.00  0.00           H  
HETATM   44  H   UNL     1       3.185   0.297  -0.336  1.00  0.00           H  
HETATM   45  H   UNL     1       4.789   0.806  -2.703  1.00  0.00           H  
HETATM   46  H   UNL     1       5.274  -1.576  -1.675  1.00  0.00           H  
HETATM   47  H   UNL     1       2.661  -1.890  -0.134  1.00  0.00           H  
HETATM   48  H   UNL     1       5.866  -4.160  -1.136  1.00  0.00           H  
HETATM   49  H   UNL     1       4.753  -4.981  -2.256  1.00  0.00           H  
HETATM   50  H   UNL     1       5.175  -3.271  -2.515  1.00  0.00           H  
HETATM   51  H   UNL     1       3.279  -5.587  -0.451  1.00  0.00           H  
HETATM   52  H   UNL     1       1.634  -3.051   0.266  1.00  0.00           H  
HETATM   53  H   UNL     1       2.786  -3.947   2.271  1.00  0.00           H  
HETATM   54  H   UNL     1       1.025  -4.173   2.392  1.00  0.00           H  
HETATM   55  H   UNL     1       2.072  -5.548   1.966  1.00  0.00           H  
HETATM   56  H   UNL     1       0.521  -4.688  -1.280  1.00  0.00           H  
HETATM   57  H   UNL     1       0.677  -5.934  -0.018  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.706  -4.379   2.582  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.229  -4.898   1.822  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.820  -5.986   1.825  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.072  -2.979  -1.072  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.954  -3.326   1.447  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.013  -1.525  -1.014  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.718  -1.914   1.555  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.668  -1.338  -1.176  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.874  -2.765  -0.347  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.652   0.318   1.387  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.373   2.390   0.148  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.806   2.494  -2.608  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.210   3.509  -1.408  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.784   3.058  -4.266  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.596   4.568  -3.787  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.832   4.412  -3.613  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.396   3.798   0.232  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.812   1.306  -0.818  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.608   2.812  -0.300  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.549   2.811  -1.731  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.650   2.492   1.964  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.698   2.128   3.292  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.651   0.312   0.815  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.887   0.150   2.416  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   36                                                 
CONECT    4    5    2   37   38                                       
CONECT    5    6    7    4   39                                       
CONECT    6    5   40   41                                            
CONECT    7    5    8   42   43                                       
CONECT    8    7   10    9   44                                       
CONECT    9    8   45                                                 
CONECT   10    8   11   11   46                                       
CONECT   11   10   10   12   47                                       
CONECT   12   11   14   14   13                                       
CONECT   13   12   48   49   50                                       
CONECT   14   15   12   12   51                                       
CONECT   15   16   14   17   52                                       
CONECT   16   15   53   54   55                                       
CONECT   17   15   18   56   57                                       
CONECT   18   20   20   19   17                                       
CONECT   19   18   58   59   60                                       
CONECT   20   21   18   18   61                                       
CONECT   21   22   22   20   62                                       
CONECT   22   23   21   21   63                                       
CONECT   23   25   24   22   64                                       
CONECT   24   23   65   66                                            
CONECT   25   35   26   23   67                                       
CONECT   26   27   25                                                 
CONECT   27   31   28   26   68                                       
CONECT   28   27   29   29   69                                       
CONECT   29   28   28   30   70                                       
CONECT   30   29   71   72   73                                       
CONECT   31   33   32   27   74                                       
CONECT   32   31   75   76   77                                       
CONECT   33   34   31   35   78                                       
CONECT   34   33   79                                                 
CONECT   35   33   25   80   81                                       
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
