COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.163  -3.411   1.513  1.00  0.00           C  
HETATM    2  C   UNL     1       0.838  -3.995   0.274  1.00  0.00           C  
HETATM    3  O   UNL     1       1.731  -5.087   0.474  1.00  0.00           O  
HETATM    4  C   UNL     1       2.352  -3.840   0.130  1.00  0.00           C  
HETATM    5  C   UNL     1       2.956  -3.737  -1.269  1.00  0.00           C  
HETATM    6  O   UNL     1       1.932  -3.669  -2.255  1.00  0.00           O  
HETATM    7  C   UNL     1       3.896  -2.543  -1.370  1.00  0.00           C  
HETATM    8  C   UNL     1       3.224  -1.253  -0.989  1.00  0.00           C  
HETATM    9  C   UNL     1       1.942  -1.077  -1.174  1.00  0.00           C  
HETATM   10  C   UNL     1       4.044  -0.142  -0.375  1.00  0.00           C  
HETATM   11  C   UNL     1       3.880   1.149  -1.175  1.00  0.00           C  
HETATM   12  C   UNL     1       5.057   1.304  -2.140  1.00  0.00           C  
HETATM   13  C   UNL     1       3.834   2.348  -0.227  1.00  0.00           C  
HETATM   14  C   UNL     1       2.812   3.364  -0.734  1.00  0.00           C  
HETATM   15  O   UNL     1       1.498   3.037  -0.291  1.00  0.00           O  
HETATM   16  C   UNL     1       3.175   4.762  -0.259  1.00  0.00           C  
HETATM   17  C   UNL     1       2.691   5.040   1.133  1.00  0.00           C  
HETATM   18  C   UNL     1       1.849   4.270   1.758  1.00  0.00           C  
HETATM   19  C   UNL     1       1.301   3.022   1.117  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.196   2.924   1.424  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.389   2.309   2.785  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.543   1.004   2.980  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.521   0.015   1.901  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.274   0.346   0.760  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.789  -1.276   2.191  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.742  -2.244   1.112  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.158  -2.767   0.844  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.625  -3.484   1.988  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.078  -1.605   0.569  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.706  -1.525  -0.578  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.627  -0.364  -0.853  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.203   0.335  -2.148  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.543   0.583   0.220  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.516   1.625   0.123  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.494   2.228  -1.252  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.914   1.655  -2.265  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.956   2.339  -3.607  1.00  0.00           C  
HETATM   38  H   UNL     1      -0.436  -4.187   1.989  1.00  0.00           H  
HETATM   39  H   UNL     1       0.927  -3.060   2.206  1.00  0.00           H  
HETATM   40  H   UNL     1       0.231  -3.983  -0.636  1.00  0.00           H  
HETATM   41  H   UNL     1       2.882  -3.310   0.922  1.00  0.00           H  
HETATM   42  H   UNL     1       3.540  -4.651  -1.455  1.00  0.00           H  
HETATM   43  H   UNL     1       2.262  -3.603  -3.161  1.00  0.00           H  
HETATM   44  H   UNL     1       4.757  -2.703  -0.708  1.00  0.00           H  
HETATM   45  H   UNL     1       4.272  -2.465  -2.396  1.00  0.00           H  
HETATM   46  H   UNL     1       1.345  -1.866  -1.608  1.00  0.00           H  
HETATM   47  H   UNL     1       1.479  -0.142  -0.894  1.00  0.00           H  
HETATM   48  H   UNL     1       3.709   0.014   0.651  1.00  0.00           H  
HETATM   49  H   UNL     1       5.095  -0.442  -0.375  1.00  0.00           H  
HETATM   50  H   UNL     1       2.957   1.123  -1.751  1.00  0.00           H  
HETATM   51  H   UNL     1       5.082   0.454  -2.822  1.00  0.00           H  
HETATM   52  H   UNL     1       4.940   2.225  -2.711  1.00  0.00           H  
HETATM   53  H   UNL     1       5.988   1.343  -1.575  1.00  0.00           H  
HETATM   54  H   UNL     1       3.563   2.018   0.775  1.00  0.00           H  
HETATM   55  H   UNL     1       4.822   2.815  -0.195  1.00  0.00           H  
HETATM   56  H   UNL     1       2.824   3.355  -1.833  1.00  0.00           H  
HETATM   57  H   UNL     1       4.256   4.870  -0.284  1.00  0.00           H  
HETATM   58  H   UNL     1       2.732   5.488  -0.936  1.00  0.00           H  
HETATM   59  H   UNL     1       3.057   5.920   1.641  1.00  0.00           H  
HETATM   60  H   UNL     1       1.538   4.530   2.763  1.00  0.00           H  
HETATM   61  H   UNL     1       1.801   2.157   1.558  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.612   3.935   1.427  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.699   2.334   0.664  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.394   2.964   3.654  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.714   0.655   3.999  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.362  -1.772   0.207  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.142  -3.431  -0.020  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.665  -2.954   2.796  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.220  -0.840   1.318  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.564  -2.290  -1.326  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.652  -0.722  -0.947  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.126   0.502  -2.135  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.462  -0.294  -3.000  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.506   1.213   0.321  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.294   2.397   0.860  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.981   3.180  -1.407  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.841   2.013  -4.153  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.995   3.419  -3.463  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.062   2.080  -4.175  1.00  0.00           H  
CONECT    1    2   26   38   39                                       
CONECT    2    3    1    4   40                                       
CONECT    3    4    2                                                 
CONECT    4    3    2    5   41                                       
CONECT    5    4    6    7   42                                       
CONECT    6    5   43                                                 
CONECT    7    5    8   44   45                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   46   47                                       
CONECT   10    8   11   48   49                                       
CONECT   11   10   13   12   50                                       
CONECT   12   11   51   52   53                                       
CONECT   13   11   14   54   55                                       
CONECT   14   15   13   16   56                                       
CONECT   15   19   14                                                 
CONECT   16   17   14   57   58                                       
CONECT   17   18   18   16   59                                       
CONECT   18   19   17   17   60                                       
CONECT   19   20   18   15   61                                       
CONECT   20   21   19   62   63                                       
CONECT   21   22   22   20   64                                       
CONECT   22   23   21   21   65                                       
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   23                                                 
CONECT   26    1   25   27   66                                       
CONECT   27   28   26   29   67                                       
CONECT   28   27   68                                                 
CONECT   29   27   30   30   69                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   33   32   71                                       
CONECT   32   31   36   72   73                                       
CONECT   33   31   34                                                 
CONECT   34   33   35   74   75                                       
CONECT   35   34   36   36   76                                       
CONECT   36   32   35   35   37                                       
CONECT   37   36   77   78   79                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
