COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.516  -1.221   1.651  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.602  -0.666   0.967  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.609   0.701   0.673  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.550   1.492   1.065  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.477   0.934   1.737  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.462  -0.418   2.031  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.320   1.805   2.157  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.288   1.833   1.059  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.473   1.208   0.036  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.160   2.554   1.213  1.00  0.00           N  
HETATM   11  C   UNL     1       0.844   2.581   0.146  1.00  0.00           C  
HETATM   12  C   UNL     1       2.195   2.894   0.735  1.00  0.00           C  
HETATM   13  O   UNL     1       2.309   3.076   1.928  1.00  0.00           O  
HETATM   14  N   UNL     1       3.277   2.971  -0.065  1.00  0.00           N  
HETATM   15  C   UNL     1       4.591   3.275   0.507  1.00  0.00           C  
HETATM   16  C   UNL     1       4.753   4.768   0.628  1.00  0.00           C  
HETATM   17  O   UNL     1       3.859   5.506   0.271  1.00  0.00           O  
HETATM   18  C   UNL     1       5.686   2.715  -0.403  1.00  0.00           C  
HETATM   19  N   UNL     1       5.891   5.284   1.133  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.821   3.280  -1.554  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.027   3.696  -1.022  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.213   3.351  -1.643  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.192   2.589  -2.797  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.986   2.174  -3.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.800   2.523  -2.710  1.00  0.00           C  
HETATM   26  C   UNL     1       0.471   3.656  -0.877  1.00  0.00           C  
HETATM   27  C   UNL     1       5.357  -3.024  -0.491  1.00  0.00           C  
HETATM   28  C   UNL     1       4.650  -3.818  -1.328  1.00  0.00           C  
HETATM   29  C   UNL     1       4.779  -5.237  -1.087  1.00  0.00           C  
HETATM   30  N   UNL     1       5.575  -5.628  -0.074  1.00  0.00           N  
HETATM   31  S   UNL     1       6.167  -4.202   0.571  1.00  0.00           S  
HETATM   32  O   UNL     1       7.554  -4.157   0.265  1.00  0.00           O  
HETATM   33  O   UNL     1       5.578  -4.056   1.856  1.00  0.00           O  
HETATM   34  O   UNL     1       4.190  -6.050  -1.775  1.00  0.00           O  
HETATM   35  C   UNL     1       5.442  -1.554  -0.469  1.00  0.00           C  
HETATM   36  C   UNL     1       4.727  -0.795  -1.400  1.00  0.00           C  
HETATM   37  C   UNL     1       4.811   0.581  -1.373  1.00  0.00           C  
HETATM   38  C   UNL     1       5.599   1.211  -0.426  1.00  0.00           C  
HETATM   39  C   UNL     1       6.314   0.466   0.497  1.00  0.00           C  
HETATM   40  C   UNL     1       6.236  -0.911   0.485  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.133  -3.390   0.222  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.903  -2.846   0.749  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.731  -1.517   0.557  1.00  0.00           C  
HETATM   44  S   UNL     1      -8.217  -1.054  -0.308  1.00  0.00           S  
HETATM   45  N   UNL     1      -8.976  -2.543  -0.398  1.00  0.00           N  
HETATM   46  O   UNL     1      -8.398  -4.573   0.335  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.986  -0.254   0.579  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.823  -0.714  -1.630  1.00  0.00           O  
HETATM   49  H   UNL     1      -4.503  -2.276   1.881  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.444   1.137   0.145  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.554   2.548   0.839  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.622  -0.845   2.560  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.873   1.403   3.065  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.678   2.818   2.345  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.012   3.054   2.031  1.00  0.00           H  
HETATM   56  H   UNL     1       0.878   1.608  -0.346  1.00  0.00           H  
HETATM   57  H   UNL     1       3.186   2.825  -1.020  1.00  0.00           H  
HETATM   58  H   UNL     1       4.671   2.820   1.495  1.00  0.00           H  
HETATM   59  H   UNL     1       5.552   3.102  -1.413  1.00  0.00           H  
HETATM   60  H   UNL     1       6.662   3.017  -0.025  1.00  0.00           H  
HETATM   61  H   UNL     1       5.995   6.245   1.210  1.00  0.00           H  
HETATM   62  H   UNL     1       6.604   4.694   1.422  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.043   4.291  -0.121  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.155   3.675  -1.227  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.118   2.319  -3.282  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.970   1.578  -4.230  1.00  0.00           H  
HETATM   67  H   UNL     1       0.142   2.198  -3.127  1.00  0.00           H  
HETATM   68  H   UNL     1       0.350   4.613  -0.369  1.00  0.00           H  
HETATM   69  H   UNL     1       1.262   3.738  -1.622  1.00  0.00           H  
HETATM   70  H   UNL     1       4.032  -3.420  -2.119  1.00  0.00           H  
HETATM   71  H   UNL     1       5.765  -6.534   0.215  1.00  0.00           H  
HETATM   72  H   UNL     1       4.111  -1.285  -2.140  1.00  0.00           H  
HETATM   73  H   UNL     1       4.259   1.169  -2.092  1.00  0.00           H  
HETATM   74  H   UNL     1       6.927   0.965   1.232  1.00  0.00           H  
HETATM   75  H   UNL     1       6.791  -1.490   1.208  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.172  -3.455   1.260  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.833  -2.749  -0.803  1.00  0.00           H  
CONECT    1    2    2    6   49                                       
CONECT    2    1    1    3   43                                       
CONECT    3    2    4    4   50                                       
CONECT    4    3    3    5   51                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   52                                       
CONECT    7    5    8   53   54                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   55                                            
CONECT   11   10   12   26   56                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   57                                            
CONECT   15   14   16   18   58                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16                                                 
CONECT   18   15   38   59   60                                       
CONECT   19   16   61   62                                            
CONECT   20   21   21   25   26                                       
CONECT   21   20   20   22   63                                       
CONECT   22   21   23   23   64                                       
CONECT   23   22   22   24   65                                       
CONECT   24   23   25   25   66                                       
CONECT   25   20   24   24   67                                       
CONECT   26   11   20   68   69                                       
CONECT   27   28   28   31   35                                       
CONECT   28   27   27   29   70                                       
CONECT   29   28   30   34   34                                       
CONECT   30   29   31   71                                            
CONECT   31   27   30   32   32                                       
CONECT   31   33   33                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   29   29                                                 
CONECT   35   27   36   36   40                                       
CONECT   36   35   35   37   72                                       
CONECT   37   36   38   38   73                                       
CONECT   38   18   37   37   39                                       
CONECT   39   38   40   40   74                                       
CONECT   40   35   39   39   75                                       
CONECT   41   42   45   46   46                                       
CONECT   42   41   43   43   76                                       
CONECT   43    2   42   42   44                                       
CONECT   44   43   45   47   47                                       
CONECT   44   48   48                                                 
CONECT   45   41   44   77                                            
CONECT   46   41   41                                                 
CONECT   47   44   44                                                 
CONECT   48   44   44                                                 
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   45                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
