COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.266   0.680  -0.902  1.00  0.00           O  
HETATM    2  C   UNL     1       3.359   0.674  -0.331  1.00  0.00           C  
HETATM    3  C   UNL     1       3.933   1.908   0.195  1.00  0.00           C  
HETATM    4  C   UNL     1       5.122   1.900   0.776  1.00  0.00           C  
HETATM    5  C   UNL     1       5.860   0.603   0.898  1.00  0.00           C  
HETATM    6  O   UNL     1       6.949   0.645   1.421  1.00  0.00           O  
HETATM    7  C   UNL     1       5.235  -0.646   0.582  1.00  0.00           C  
HETATM    8  N   UNL     1       3.200   3.120   0.053  1.00  0.00           N  
HETATM    9  C   UNL     1       1.963   3.086  -0.348  1.00  0.00           C  
HETATM   10  O   UNL     1       1.650   2.767  -1.441  1.00  0.00           O  
HETATM   11  C   UNL     1       0.832   3.569   0.459  1.00  0.00           C  
HETATM   12  C   UNL     1       1.107   4.228   1.779  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.386   3.246   0.004  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.611   3.701   0.800  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.804   3.133   0.560  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.985   2.003  -0.534  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.598   2.630  -1.771  1.00  0.00           C  
HETATM   18  C   UNL     1       3.943  -0.665  -0.015  1.00  0.00           C  
HETATM   19  C   UNL     1       3.319  -1.932  -0.495  1.00  0.00           C  
HETATM   20  O   UNL     1       2.679  -1.748  -1.641  1.00  0.00           O  
HETATM   21  C   UNL     1       3.493  -1.941  -2.800  1.00  0.00           C  
HETATM   22  C   UNL     1       2.461  -2.425   0.674  1.00  0.00           C  
HETATM   23  C   UNL     1       1.791  -1.318   1.437  1.00  0.00           C  
HETATM   24  C   UNL     1       1.490  -3.465   0.150  1.00  0.00           C  
HETATM   25  C   UNL     1       0.207  -2.837  -0.413  1.00  0.00           C  
HETATM   26  O   UNL     1       0.273  -1.592  -0.875  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.034  -1.472  -2.266  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.999  -2.987   0.530  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.074  -4.324   1.126  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.032  -4.327   2.555  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.294  -2.544  -0.095  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.330  -3.644   0.249  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.708  -1.239   0.280  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.407  -0.448  -0.511  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.824  -0.823  -1.816  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.828   0.971   0.069  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.279   1.220  -0.309  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.217   0.825   0.572  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.887   0.296   1.615  1.00  0.00           O  
HETATM   40  N   UNL     1      -7.523   1.016   0.297  1.00  0.00           N  
HETATM   41  H   UNL     1       5.623   2.863   1.094  1.00  0.00           H  
HETATM   42  H   UNL     1       3.690   3.943   0.228  1.00  0.00           H  
HETATM   43  H   UNL     1       5.664  -1.605   0.676  1.00  0.00           H  
HETATM   44  H   UNL     1       1.229   5.301   1.630  1.00  0.00           H  
HETATM   45  H   UNL     1       0.272   4.048   2.456  1.00  0.00           H  
HETATM   46  H   UNL     1       2.019   3.814   2.208  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.656   3.428   1.149  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.993   1.592  -0.797  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.939   3.412  -2.147  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.731   1.866  -2.537  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.566   3.062  -1.517  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.823   0.948   1.135  1.00  0.00           H  
HETATM   53  H   UNL     1       4.133  -2.665  -0.592  1.00  0.00           H  
HETATM   54  H   UNL     1       3.140  -3.043   1.389  1.00  0.00           H  
HETATM   55  H   UNL     1       2.895  -1.772  -3.696  1.00  0.00           H  
HETATM   56  H   UNL     1       4.325  -1.237  -2.780  1.00  0.00           H  
HETATM   57  H   UNL     1       3.878  -2.960  -2.807  1.00  0.00           H  
HETATM   58  H   UNL     1       1.137  -0.759   0.767  1.00  0.00           H  
HETATM   59  H   UNL     1       1.201  -1.742   2.250  1.00  0.00           H  
HETATM   60  H   UNL     1       2.547  -0.650   1.848  1.00  0.00           H  
HETATM   61  H   UNL     1       1.930  -4.093  -0.573  1.00  0.00           H  
HETATM   62  H   UNL     1       1.176  -4.169   1.051  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.131  -3.469  -1.302  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.798  -2.264   1.438  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.077  -1.740  -2.432  1.00  0.00           H  
HETATM   66  H   UNL     1       0.133  -0.444  -2.587  1.00  0.00           H  
HETATM   67  H   UNL     1       0.609  -2.141  -2.839  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.059  -2.636  -1.219  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.122  -3.832   2.893  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.900  -3.795   2.944  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.043  -5.355   2.917  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.414  -3.737   1.332  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.299  -3.373  -0.169  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.004  -4.594  -0.173  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.395  -0.865   1.258  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.478  -1.834  -2.031  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.912  -0.792  -1.873  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.403  -0.132  -2.545  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.786   1.438  -0.536  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.199   0.731   0.932  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.534   4.485   1.549  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.531   2.745  -0.899  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   18                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   18   18   43                                       
CONECT    8    3    9   42                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   13   13                                       
CONECT   12   11   44   45   46                                       
CONECT   13   11   11   14   82                                       
CONECT   14   13   15   15   81                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   36   48                                       
CONECT   17   16   49   50   51                                       
CONECT   18    2    7    7   19                                       
CONECT   19   18   20   22   53                                       
CONECT   20   19   21                                                 
CONECT   21   20   55   56   57                                       
CONECT   22   19   23   24   54                                       
CONECT   23   22   58   59   60                                       
CONECT   24   22   25   61   62                                       
CONECT   25   24   26   28   63                                       
CONECT   26   25   27                                                 
CONECT   27   26   65   66   67                                       
CONECT   28   25   29   31   64                                       
CONECT   29   28   30                                                 
CONECT   30   29   69   70   71                                       
CONECT   31   28   32   33   68                                       
CONECT   32   31   72   73   74                                       
CONECT   33   31   34   34   75                                       
CONECT   34   33   33   35   36                                       
CONECT   35   34   76   77   78                                       
CONECT   36   16   34   37   52                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   79   80                                            
CONECT   41    4                                                      
CONECT   42    8                                                      
CONECT   43    7                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   36                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   31                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   14                                                      
CONECT   82   13                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
