COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.621  -0.335  -0.226  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.689  -2.954   1.750  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.601   0.912   0.528  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.017   1.486   0.606  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.974   0.592  -0.187  1.00  0.00           C  
HETATM    6  C   UNL     1       4.754   0.613  -0.625  1.00  0.00           C  
HETATM    7  C   UNL     1       4.554   1.966   0.061  1.00  0.00           C  
HETATM    8  C   UNL     1       2.284   0.241  -0.698  1.00  0.00           C  
HETATM    9  C   UNL     1       5.586   2.964  -0.466  1.00  0.00           C  
HETATM   10  C   UNL     1       5.312   4.345   0.131  1.00  0.00           C  
HETATM   11  C   UNL     1       6.262   5.369  -0.493  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.029   2.897   0.014  1.00  0.00           C  
HETATM   13  C   UNL     1       1.156  -0.720  -0.314  1.00  0.00           C  
HETATM   14  C   UNL     1       1.431  -2.092  -0.936  1.00  0.00           C  
HETATM   15  C   UNL     1       2.793  -2.600  -0.457  1.00  0.00           C  
HETATM   16  C   UNL     1       5.174  -2.168  -0.528  1.00  0.00           C  
HETATM   17  C   UNL     1       5.256  -2.463   0.948  1.00  0.00           C  
HETATM   18  C   UNL     1       3.081  -3.962  -1.092  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.176  -0.179  -0.837  1.00  0.00           C  
HETATM   20  O   UNL     1       6.084  -1.909   1.629  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.162   0.853  -0.422  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.947  -1.333  -0.334  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.021  -0.676  -2.362  1.00  0.00           O  
HETATM   24  S   UNL     1      -2.897  -0.432  -0.967  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.317  -1.073  -0.347  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.177  -1.073   1.052  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.562  -0.446   1.230  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.106  -2.385   1.836  1.00  0.00           C  
HETATM   29  C   UNL     1       4.728   1.802   1.572  1.00  0.00           C  
HETATM   30  C   UNL     1       6.167   1.379   1.877  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.415   3.518   0.205  1.00  0.00           C  
HETATM   32  N   UNL     1       3.838  -1.646  -0.849  1.00  0.00           N  
HETATM   33  H   UNL     1       3.606  -0.446   0.858  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.657  -3.926   2.242  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.406  -3.067   0.703  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.993  -2.275   2.243  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.316   0.789  -0.517  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.905   1.594   1.016  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.336   1.526   1.647  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.655   0.553  -1.228  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.965  -0.413   0.235  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.983   1.001  -0.131  1.00  0.00           H  
HETATM   43  H   UNL     1       5.709   0.188  -0.317  1.00  0.00           H  
HETATM   44  H   UNL     1       4.749   0.750  -1.707  1.00  0.00           H  
HETATM   45  H   UNL     1       3.550   2.335  -0.150  1.00  0.00           H  
HETATM   46  H   UNL     1       2.116   1.208  -0.223  1.00  0.00           H  
HETATM   47  H   UNL     1       2.304   0.366  -1.781  1.00  0.00           H  
HETATM   48  H   UNL     1       6.586   2.637  -0.181  1.00  0.00           H  
HETATM   49  H   UNL     1       5.518   3.017  -1.553  1.00  0.00           H  
HETATM   50  H   UNL     1       4.281   4.633  -0.078  1.00  0.00           H  
HETATM   51  H   UNL     1       5.469   4.313   1.209  1.00  0.00           H  
HETATM   52  H   UNL     1       6.067   6.353  -0.068  1.00  0.00           H  
HETATM   53  H   UNL     1       7.293   5.081  -0.285  1.00  0.00           H  
HETATM   54  H   UNL     1       6.105   5.401  -1.572  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.284   3.510   0.521  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.797   2.847  -1.049  1.00  0.00           H  
HETATM   57  H   UNL     1       1.111  -0.813   0.771  1.00  0.00           H  
HETATM   58  H   UNL     1       0.653  -2.792  -0.631  1.00  0.00           H  
HETATM   59  H   UNL     1       1.436  -2.004  -2.023  1.00  0.00           H  
HETATM   60  H   UNL     1       2.781  -2.701   0.628  1.00  0.00           H  
HETATM   61  H   UNL     1       5.927  -1.425  -0.792  1.00  0.00           H  
HETATM   62  H   UNL     1       5.352  -3.083  -1.092  1.00  0.00           H  
HETATM   63  H   UNL     1       4.574  -3.170   1.396  1.00  0.00           H  
HETATM   64  H   UNL     1       3.197  -3.843  -2.169  1.00  0.00           H  
HETATM   65  H   UNL     1       3.998  -4.373  -0.670  1.00  0.00           H  
HETATM   66  H   UNL     1       2.252  -4.640  -0.889  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.326   0.836  -0.469  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.163  -0.172  -1.927  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.167  -2.088  -0.716  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.331  -1.081   0.742  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.417  -0.386   1.423  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.766  -0.312   2.293  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.316  -1.102   0.795  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.811  -3.100   1.413  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.360  -2.198   2.880  1.00  0.00           H  
HETATM   76  H   UNL     1       4.516   2.749   2.068  1.00  0.00           H  
HETATM   77  H   UNL     1       4.040   1.039   1.937  1.00  0.00           H  
HETATM   78  H   UNL     1       6.305   1.309   2.955  1.00  0.00           H  
HETATM   79  H   UNL     1       6.364   0.408   1.421  1.00  0.00           H  
HETATM   80  H   UNL     1       6.857   2.118   1.469  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.423   4.523  -0.217  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.160   2.905  -0.302  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.647   3.568   1.268  1.00  0.00           H  
CONECT    1   32    8    6   33                                       
CONECT    2   28   34   35   36                                       
CONECT    3    4   27   37   38                                       
CONECT    4   12    5    3   39                                       
CONECT    5    4   40   41   42                                       
CONECT    6    1    7   43   44                                       
CONECT    7    6    9   29   45                                       
CONECT    8   13    1   46   47                                       
CONECT    9    7   10   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   52   53   54                                       
CONECT   12   31    4   55   56                                       
CONECT   13   14   19    8   57                                       
CONECT   14   15   13   58   59                                       
CONECT   15   18   14   32   60                                       
CONECT   16   17   32   61   62                                       
CONECT   17   20   20   16   63                                       
CONECT   18   15   64   65   66                                       
CONECT   19   13   25   67   68                                       
CONECT   20   17   17                                                 
CONECT   21   24   24                                                 
CONECT   22   26   24                                                 
CONECT   23   24   24                                                 
CONECT   24   21   21   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   19   24   69   70                                       
CONECT   26   27   28   22   71                                       
CONECT   27    3   26   72   73                                       
CONECT   28    2   26   74   75                                       
CONECT   29    7   30   76   77                                       
CONECT   30   29   78   79   80                                       
CONECT   31   12   81   82   83                                       
CONECT   32   15   16    1                                            
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
