COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -2.428   0.132  -1.353  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.020   0.199  -0.951  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.265  -0.064  -3.231  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.514  -1.210  -0.633  1.00  0.00           C  
HETATM    5  O   UNL     1       2.066   0.111  -2.015  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.247  -1.748   0.568  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.421  -2.459   0.400  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.094  -2.952   1.503  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.593  -2.736   2.772  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.419  -2.026   2.940  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.743  -1.537   1.838  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.192   0.794  -2.091  1.00  0.00           C  
HETATM   13  C   UNL     1       1.244   0.925  -1.652  1.00  0.00           C  
HETATM   14  N   UNL     1       4.851   0.705   0.240  1.00  0.00           N  
HETATM   15  O   UNL     1       7.473   0.683   0.520  1.00  0.00           O  
HETATM   16  C   UNL     1       5.362  -0.491   0.915  1.00  0.00           C  
HETATM   17  C   UNL     1       5.414  -1.657  -0.049  1.00  0.00           C  
HETATM   18  C   UNL     1       4.491  -2.088  -0.987  1.00  0.00           C  
HETATM   19  C   UNL     1       4.759  -3.195  -1.768  1.00  0.00           C  
HETATM   20  C   UNL     1       6.822  -0.271   1.362  1.00  0.00           C  
HETATM   21  C   UNL     1       6.608  -2.336   0.104  1.00  0.00           C  
HETATM   22  C   UNL     1       6.875  -3.446  -0.680  1.00  0.00           C  
HETATM   23  C   UNL     1       5.952  -3.875  -1.615  1.00  0.00           C  
HETATM   24  C   UNL     1       7.439  -1.674   1.182  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.751  -0.087  -0.269  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.104   0.191   0.759  1.00  0.00           O  
HETATM   27  C   UNL     1      -9.026  -1.255  -0.121  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.674   0.083   0.334  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.661  -1.201   0.080  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.871  -2.474   0.241  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.051   2.533   0.045  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.017   0.027   0.135  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.747   1.197  -0.014  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.112   1.138  -0.215  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.397   0.135  -0.416  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.845   0.067  -0.830  1.00  0.00           C  
HETATM   37  C   UNL     1       0.645   2.915  -0.306  1.00  0.00           C  
HETATM   38  N   UNL     1       1.615   1.949  -0.857  1.00  0.00           N  
HETATM   39  O   UNL     1       2.757   0.182   0.752  1.00  0.00           O  
HETATM   40  S   UNL     1       1.500   3.528   1.204  1.00  0.00           S  
HETATM   41  C   UNL     1       3.180   3.396   0.459  1.00  0.00           C  
HETATM   42  C   UNL     1       3.530   4.656  -0.335  1.00  0.00           C  
HETATM   43  C   UNL     1       4.235   3.112   1.530  1.00  0.00           C  
HETATM   44  C   UNL     1       3.001   2.181  -0.479  1.00  0.00           C  
HETATM   45  C   UNL     1       3.526   0.951   0.215  1.00  0.00           C  
HETATM   46  H   UNL     1      -2.662   0.091  -2.293  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.925   0.827  -0.065  1.00  0.00           H  
HETATM   48  H   UNL     1       0.068  -0.958  -3.073  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.691  -1.861  -1.489  1.00  0.00           H  
HETATM   50  H   UNL     1       0.554  -1.172  -0.420  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.813  -2.628  -0.592  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.011  -3.507   1.371  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.118  -3.121   3.634  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.027  -1.856   3.932  1.00  0.00           H  
HETATM   55  H   UNL     1       0.175  -0.982   1.969  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.584   1.777  -2.350  1.00  0.00           H  
HETATM   57  H   UNL     1       5.466   1.319  -0.189  1.00  0.00           H  
HETATM   58  H   UNL     1       8.394   0.856   0.760  1.00  0.00           H  
HETATM   59  H   UNL     1       4.736  -0.736   1.773  1.00  0.00           H  
HETATM   60  H   UNL     1       3.558  -1.558  -1.107  1.00  0.00           H  
HETATM   61  H   UNL     1       4.036  -3.529  -2.498  1.00  0.00           H  
HETATM   62  H   UNL     1       6.865   0.043   2.405  1.00  0.00           H  
HETATM   63  H   UNL     1       7.808  -3.977  -0.561  1.00  0.00           H  
HETATM   64  H   UNL     1       6.164  -4.741  -2.225  1.00  0.00           H  
HETATM   65  H   UNL     1       8.478  -1.592   0.861  1.00  0.00           H  
HETATM   66  H   UNL     1       7.373  -2.239   2.111  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.818  -0.132  -0.431  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.528  -2.211  -0.164  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.529  -2.816  -0.736  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.010  -2.289   0.883  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.503  -3.239   0.693  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.731   2.820  -0.956  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.737   3.283   0.437  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.180   2.460   0.698  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.681   2.049  -0.331  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.020  -0.853  -1.388  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.083   0.924  -1.459  1.00  0.00           H  
HETATM   78  H   UNL     1       0.469   3.729  -1.009  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.291   2.419  -0.049  1.00  0.00           H  
HETATM   80  H   UNL     1       3.535   5.517   0.334  1.00  0.00           H  
HETATM   81  H   UNL     1       4.516   4.540  -0.784  1.00  0.00           H  
HETATM   82  H   UNL     1       2.789   4.809  -1.119  1.00  0.00           H  
HETATM   83  H   UNL     1       3.986   2.187   2.049  1.00  0.00           H  
HETATM   84  H   UNL     1       5.213   3.013   1.059  1.00  0.00           H  
HETATM   85  H   UNL     1       4.258   3.935   2.245  1.00  0.00           H  
HETATM   86  H   UNL     1       3.587   2.346  -1.383  1.00  0.00           H  
CONECT    1   35    2   46                                            
CONECT    2    1    4   12   47                                       
CONECT    3   12   48                                                 
CONECT    4    2    6   49   50                                       
CONECT    5   13   13                                                 
CONECT    6    4   11   11    7                                       
CONECT    7    6    8    8   51                                       
CONECT    8    7    7    9   52                                       
CONECT    9    8   10   10   53                                       
CONECT   10    9    9   11   54                                       
CONECT   11    6    6   10   55                                       
CONECT   12    2    3   13   56                                       
CONECT   13    5    5   12   38                                       
CONECT   14   16   45   57                                            
CONECT   15   20   58                                                 
CONECT   16   14   17   20   59                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   60                                       
CONECT   19   18   23   23   61                                       
CONECT   20   15   16   24   62                                       
CONECT   21   17   22   22   24                                       
CONECT   22   21   21   23   63                                       
CONECT   23   19   19   22   64                                       
CONECT   24   20   21   65   66                                       
CONECT   25   34   34   27   67                                       
CONECT   26   35   35                                                 
CONECT   27   25   29   29   68                                       
CONECT   28   32   36                                                 
CONECT   29   27   27   32   30                                       
CONECT   30   29   69   70   71                                       
CONECT   31   33   72   73   74                                       
CONECT   32   28   29   33   33                                       
CONECT   33   31   32   32   34                                       
CONECT   34   25   25   33   75                                       
CONECT   35    1   26   26   36                                       
CONECT   36   28   35   76   77                                       
CONECT   37   40   38   78   79                                       
CONECT   38   13   37   44                                            
CONECT   39   45   45                                                 
CONECT   40   37   41                                                 
CONECT   41   40   43   44   42                                       
CONECT   42   41   80   81   82                                       
CONECT   43   41   83   84   85                                       
CONECT   44   38   41   45   86                                       
CONECT   45   14   39   39   44                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
