COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.339  -3.294  -0.486  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.592  -1.919   0.137  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.904  -0.908  -0.968  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.058   1.336  -0.165  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.984   2.228   0.539  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.661  -1.072  -0.133  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.050  -0.907  -0.117  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.731   1.084   0.063  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.289   3.522  -0.081  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.298   3.654   1.443  1.00  0.00           C  
HETATM   11  C   UNL     1       1.126   3.491   1.977  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.263  -6.557   0.960  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.673  -5.560   0.022  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.908  -4.277   0.604  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.066   0.424  -0.380  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.616   2.461   0.410  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.242   0.967   0.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.568   0.315  -0.009  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.901  -1.674  -0.189  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.964   0.468   0.011  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.640   1.144  -0.483  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.226   0.038  -0.775  1.00  0.00           O  
HETATM   23  N   UNL     1       0.205   2.194  -0.454  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.835   5.032   1.832  1.00  0.00           C  
HETATM   25  C   UNL     1       1.618   2.007  -0.794  1.00  0.00           C  
HETATM   26  C   UNL     1       1.741   1.618  -2.269  1.00  0.00           C  
HETATM   27  N   UNL     1       3.155   1.410  -2.606  1.00  0.00           N  
HETATM   28  C   UNL     1       3.732   0.312  -1.819  1.00  0.00           C  
HETATM   29  C   UNL     1       3.668   0.661  -0.330  1.00  0.00           C  
HETATM   30  C   UNL     1       2.209   0.892   0.073  1.00  0.00           C  
HETATM   31  C   UNL     1       4.240  -0.475   0.478  1.00  0.00           C  
HETATM   32  O   UNL     1       3.503  -1.312   0.953  1.00  0.00           O  
HETATM   33  N   UNL     1       5.571  -0.560   0.672  1.00  0.00           N  
HETATM   34  C   UNL     1       6.475   0.500   0.199  1.00  0.00           C  
HETATM   35  C   UNL     1       7.606  -0.152  -0.606  1.00  0.00           C  
HETATM   36  O   UNL     1       8.200  -1.191   0.175  1.00  0.00           O  
HETATM   37  C   UNL     1       7.309  -2.260   0.502  1.00  0.00           C  
HETATM   38  C   UNL     1       6.163  -1.713   1.368  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.254  -3.653  -0.958  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.552  -3.214  -1.236  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.437  -1.981   0.822  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.704  -1.599   0.682  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.084  -0.890  -1.686  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.824  -1.196  -1.475  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.711   2.913   0.951  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.765  -1.673  -0.189  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.019  -1.383  -0.162  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.665   2.157   0.159  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.301   3.653  -0.463  1.00  0.00           H  
HETATM   50  H   UNL     1       0.363   4.285  -0.508  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.937   2.881   1.871  1.00  0.00           H  
HETATM   52  H   UNL     1       1.749   4.305   1.607  1.00  0.00           H  
HETATM   53  H   UNL     1       1.110   3.513   3.067  1.00  0.00           H  
HETATM   54  H   UNL     1       1.535   2.539   1.640  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.334  -6.246   1.439  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.037  -6.684   1.717  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.104  -7.502   0.440  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.993  -3.918   1.075  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.696  -4.357   1.353  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.089   3.357   0.702  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.976  -2.747  -0.290  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.865   1.062   0.067  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.879   5.114   1.531  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.757   5.161   2.912  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.251   5.804   1.332  1.00  0.00           H  
HETATM   66  H   UNL     1       2.161   2.934  -0.615  1.00  0.00           H  
HETATM   67  H   UNL     1       1.185   0.698  -2.450  1.00  0.00           H  
HETATM   68  H   UNL     1       1.334   2.417  -2.890  1.00  0.00           H  
HETATM   69  H   UNL     1       3.271   1.246  -3.594  1.00  0.00           H  
HETATM   70  H   UNL     1       3.167  -0.602  -2.002  1.00  0.00           H  
HETATM   71  H   UNL     1       4.771   0.162  -2.113  1.00  0.00           H  
HETATM   72  H   UNL     1       4.245   1.567  -0.144  1.00  0.00           H  
HETATM   73  H   UNL     1       2.163   1.183   1.122  1.00  0.00           H  
HETATM   74  H   UNL     1       1.641  -0.026  -0.076  1.00  0.00           H  
HETATM   75  H   UNL     1       5.926   1.195  -0.437  1.00  0.00           H  
HETATM   76  H   UNL     1       6.893   1.035   1.052  1.00  0.00           H  
HETATM   77  H   UNL     1       7.202  -0.573  -1.526  1.00  0.00           H  
HETATM   78  H   UNL     1       8.359   0.598  -0.848  1.00  0.00           H  
HETATM   79  H   UNL     1       6.904  -2.689  -0.414  1.00  0.00           H  
HETATM   80  H   UNL     1       7.849  -3.028   1.056  1.00  0.00           H  
HETATM   81  H   UNL     1       6.549  -1.398   2.338  1.00  0.00           H  
HETATM   82  H   UNL     1       5.406  -2.485   1.508  1.00  0.00           H  
CONECT    1    2   14   39   40                                       
CONECT    2    3    1   41   42                                       
CONECT    3   15    2   43   44                                       
CONECT    4   16   16   15   21                                       
CONECT    5   17   17   16   45                                       
CONECT    6   19   19   18   46                                       
CONECT    7   20   20   19   47                                       
CONECT    8   20   18   18   48                                       
CONECT    9   23   10   49   50                                       
CONECT   10    9   24   11   51                                       
CONECT   11   10   52   53   54                                       
CONECT   12   13   55   56   57                                       
CONECT   13   14   12                                                 
CONECT   14    1   13   58   59                                       
CONECT   15   17    3    4                                            
CONECT   16    5    4    4   60                                       
CONECT   17   18    5    5   15                                       
CONECT   18    8    8    6   17                                       
CONECT   19    7    6    6   61                                       
CONECT   20    7    7    8   62                                       
CONECT   21    4   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   25    9                                            
CONECT   24   10   63   64   65                                       
CONECT   25   23   30   26   66                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   28   69                                            
CONECT   28   29   27   70   71                                       
CONECT   29   30   31   28   72                                       
CONECT   30   25   29   73   74                                       
CONECT   31   29   33   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   34   31   38                                            
CONECT   34   33   35   75   76                                       
CONECT   35   34   36   77   78                                       
CONECT   36   35   37                                                 
CONECT   37   38   36   79   80                                       
CONECT   38   33   37   81   82                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
