COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.752   2.010   0.401  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.918  -0.253  -0.011  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.323  -0.844   0.117  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.224  -2.302   0.570  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.628  -2.905   0.658  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.802  -0.598  -1.086  1.00  0.00           C  
HETATM    7  C   UNL     1       0.259   0.719   1.660  1.00  0.00           C  
HETATM    8  C   UNL     1       2.487   0.353  -0.137  1.00  0.00           C  
HETATM    9  C   UNL     1       5.109   0.804  -2.036  1.00  0.00           C  
HETATM   10  C   UNL     1       6.014  -0.450  -0.073  1.00  0.00           C  
HETATM   11  C   UNL     1       1.243  -0.531  -0.261  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.079  -1.524  -2.030  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.811   0.818  -1.667  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.156   3.972   0.951  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.395   3.115  -0.028  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.360   3.419  -1.201  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.013   1.177  -0.550  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.069  -0.096   1.080  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.446  -3.042  -0.373  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.545  -4.228   1.191  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.147  -1.050  -0.913  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.135  -0.590   0.178  1.00  0.00           O  
HETATM   23  C   UNL     1       0.019   0.252   0.221  1.00  0.00           C  
HETATM   24  O   UNL     1       0.397  -0.418   2.514  1.00  0.00           O  
HETATM   25  C   UNL     1       1.540   1.556   1.710  1.00  0.00           C  
HETATM   26  C   UNL     1       1.819   1.976   3.154  1.00  0.00           C  
HETATM   27  O   UNL     1       2.948   2.852   3.186  1.00  0.00           O  
HETATM   28  O   UNL     1       2.634   0.778   1.220  1.00  0.00           O  
HETATM   29  O   UNL     1       3.642  -0.390  -0.532  1.00  0.00           O  
HETATM   30  C   UNL     1       4.840   0.386  -0.589  1.00  0.00           C  
HETATM   31  O   UNL     1       6.371   1.470  -2.112  1.00  0.00           O  
HETATM   32  C   UNL     1       4.003   1.752  -2.506  1.00  0.00           C  
HETATM   33  O   UNL     1       3.926   2.871  -1.621  1.00  0.00           O  
HETATM   34  O   UNL     1       6.235  -1.553  -0.954  1.00  0.00           O  
HETATM   35  C   UNL     1       5.691  -0.972   1.328  1.00  0.00           C  
HETATM   36  O   UNL     1       4.453  -1.686   1.297  1.00  0.00           O  
HETATM   37  C   UNL     1       6.791  -1.895   1.786  1.00  0.00           C  
HETATM   38  O   UNL     1       6.541  -3.045   2.058  1.00  0.00           O  
HETATM   39  O   UNL     1       1.061  -0.910  -1.627  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.446  -2.457  -1.594  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.137  -1.312  -3.354  1.00  0.00           O  
HETATM   42  C   UNL     1      -2.600   1.740  -0.732  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.945   1.808   0.536  1.00  0.00           O  
HETATM   44  H   UNL     1      -4.777   1.769   1.341  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.437  -0.242   0.967  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.827  -0.797  -0.848  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.747  -2.347   1.549  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.248  -2.289   1.309  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.070  -2.942  -0.337  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.585   1.324   1.992  1.00  0.00           H  
HETATM   51  H   UNL     1       2.378   1.226  -0.781  1.00  0.00           H  
HETATM   52  H   UNL     1       5.125  -0.080  -2.672  1.00  0.00           H  
HETATM   53  H   UNL     1       6.910   0.169  -0.033  1.00  0.00           H  
HETATM   54  H   UNL     1       1.369  -1.424   0.352  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.788   1.181  -1.759  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.284   0.805  -2.650  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.474   4.344   1.715  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.605   4.813   0.424  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.939   3.378   1.421  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.530   1.172  -1.509  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.678  -0.094   1.965  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.812  -3.045  -1.268  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.399  -4.673   1.276  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.137   1.118  -0.422  1.00  0.00           H  
HETATM   65  H   UNL     1       0.552  -0.196   3.443  1.00  0.00           H  
HETATM   66  H   UNL     1       1.418   2.444   1.090  1.00  0.00           H  
HETATM   67  H   UNL     1       0.947   2.492   3.557  1.00  0.00           H  
HETATM   68  H   UNL     1       2.029   1.092   3.756  1.00  0.00           H  
HETATM   69  H   UNL     1       3.183   3.159   4.072  1.00  0.00           H  
HETATM   70  H   UNL     1       4.727   1.275   0.032  1.00  0.00           H  
HETATM   71  H   UNL     1       7.120   0.928  -1.829  1.00  0.00           H  
HETATM   72  H   UNL     1       4.228   2.101  -3.514  1.00  0.00           H  
HETATM   73  H   UNL     1       3.049   1.224  -2.509  1.00  0.00           H  
HETATM   74  H   UNL     1       3.245   3.514  -1.859  1.00  0.00           H  
HETATM   75  H   UNL     1       5.477  -2.148  -1.038  1.00  0.00           H  
HETATM   76  H   UNL     1       5.609  -0.133   2.019  1.00  0.00           H  
HETATM   77  H   UNL     1       4.453  -2.448   0.701  1.00  0.00           H  
HETATM   78  H   UNL     1       7.803  -1.528   1.871  1.00  0.00           H  
HETATM   79  H   UNL     1       1.767  -1.470  -1.977  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.657  -1.933  -3.919  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.658   2.737  -1.168  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.097   2.273   0.516  1.00  0.00           H  
CONECT    1   15   17   44                                            
CONECT    2    3   17   21   45                                       
CONECT    3    2    4   18   46                                       
CONECT    4    3    5   19   47                                       
CONECT    5    4   20   48   49                                       
CONECT    6   12   13   21   22                                       
CONECT    7   23   24   25   50                                       
CONECT    8   11   28   29   51                                       
CONECT    9   30   31   32   52                                       
CONECT   10   30   34   35   53                                       
CONECT   11    8   23   39   54                                       
CONECT   12    6   40   40   41                                       
CONECT   13    6   42   55   56                                       
CONECT   14   15   57   58   59                                       
CONECT   15    1   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    1    2   42   60                                       
CONECT   18    3   61                                                 
CONECT   19    4   62                                                 
CONECT   20    5   63                                                 
CONECT   21    2    6                                                 
CONECT   22    6   23                                                 
CONECT   23    7   11   22   64                                       
CONECT   24    7   65                                                 
CONECT   25    7   26   28   66                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   69                                                 
CONECT   28    8   25                                                 
CONECT   29    8   30                                                 
CONECT   30    9   10   29   70                                       
CONECT   31    9   71                                                 
CONECT   32    9   33   72   73                                       
CONECT   33   32   74                                                 
CONECT   34   10   75                                                 
CONECT   35   10   36   37   76                                       
CONECT   36   35   77                                                 
CONECT   37   35   38   38   78                                       
CONECT   38   37   37                                                 
CONECT   39   11   79                                                 
CONECT   40   12   12                                                 
CONECT   41   12   80                                                 
CONECT   42   13   17   43   81                                       
CONECT   43   42   82                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
