COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.480  -3.399   3.829  1.00  0.00           C  
HETATM    2  C   UNL     1       0.417  -4.371   1.485  1.00  0.00           C  
HETATM    3  O   UNL     1       1.089  -1.073   2.612  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.301  -1.708  -0.285  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.092   0.452  -0.713  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.602   1.752  -0.146  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.689   2.744   0.207  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.144   3.949   0.752  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.493   4.165   0.936  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.403   3.192   0.578  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.961   1.978   0.041  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.876  -0.612  -1.893  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.860  -0.971  -0.969  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.892  -0.360   0.288  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.953   0.593   0.614  1.00  0.00           C  
HETATM   16  O   UNL     1       0.629   3.094   0.878  1.00  0.00           O  
HETATM   17  C   UNL     1       2.483   1.687   0.053  1.00  0.00           C  
HETATM   18  C   UNL     1       4.637   0.677  -0.491  1.00  0.00           C  
HETATM   19  C   UNL     1       6.095   0.433  -0.200  1.00  0.00           C  
HETATM   20  N   UNL     1       0.616  -3.228   2.380  1.00  0.00           N  
HETATM   21  C   UNL     1       0.924  -2.019   1.871  1.00  0.00           C  
HETATM   22  C   UNL     1       1.063  -1.843   0.387  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.337  -0.527   0.618  1.00  0.00           S  
HETATM   24  C   UNL     1      -4.972   0.950  -0.311  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.939   0.342  -1.566  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.866  -1.992  -1.319  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.834  -2.580  -2.531  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.722  -2.303  -0.515  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.234   2.567   0.006  1.00  0.00           C  
HETATM   30  O   UNL     1       0.162   1.969  -0.978  1.00  0.00           O  
HETATM   31  C   UNL     1       2.053   2.997   0.699  1.00  0.00           C  
HETATM   32  N   UNL     1       3.904   1.448   0.337  1.00  0.00           N  
HETATM   33  O   UNL     1       4.122   0.181  -1.471  1.00  0.00           O  
HETATM   34  C   UNL     1       6.951   1.626  -0.692  1.00  0.00           C  
HETATM   35  C   UNL     1       8.334   0.955  -0.896  1.00  0.00           C  
HETATM   36  C   UNL     1       7.963  -0.455  -1.403  1.00  0.00           C  
HETATM   37  N   UNL     1       6.584  -0.727  -0.968  1.00  0.00           N  
HETATM   38  C   UNL     1       5.884  -1.849  -1.230  1.00  0.00           C  
HETATM   39  O   UNL     1       4.749  -1.966  -0.819  1.00  0.00           O  
HETATM   40  C   UNL     1       6.513  -2.958  -2.035  1.00  0.00           C  
HETATM   41  C   UNL     1       1.680   0.523   0.591  1.00  0.00           C  
HETATM   42  O   UNL     1       0.887   0.709   1.485  1.00  0.00           O  
HETATM   43  N   UNL     1       1.919  -0.697   0.017  1.00  0.00           N  
HETATM   44  H   UNL     1       0.663  -2.447   4.326  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.527  -3.743   4.061  1.00  0.00           H  
HETATM   46  H   UNL     1       1.205  -4.136   4.177  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.633  -4.427   1.197  1.00  0.00           H  
HETATM   48  H   UNL     1       1.032  -4.246   0.595  1.00  0.00           H  
HETATM   49  H   UNL     1       0.702  -5.288   1.999  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.168  -1.360  -1.312  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.797  -2.682  -0.304  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.884  -0.120  -1.183  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.333   0.662  -1.473  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.435   4.719   1.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.840   5.094   1.362  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.460   3.361   0.716  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.847  -1.086  -2.864  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.652  -0.636   1.004  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.978   1.065   1.585  1.00  0.00           H  
HETATM   60  H   UNL     1       2.349   1.741  -1.029  1.00  0.00           H  
HETATM   61  H   UNL     1       6.246   0.272   0.867  1.00  0.00           H  
HETATM   62  H   UNL     1       1.538  -2.761  -0.014  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.175   0.615  -2.278  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.514  -3.244  -2.715  1.00  0.00           H  
HETATM   65  H   UNL     1       2.396   3.830   0.073  1.00  0.00           H  
HETATM   66  H   UNL     1       2.548   3.095   1.675  1.00  0.00           H  
HETATM   67  H   UNL     1       4.316   1.845   1.120  1.00  0.00           H  
HETATM   68  H   UNL     1       6.566   2.022  -1.632  1.00  0.00           H  
HETATM   69  H   UNL     1       7.003   2.408   0.066  1.00  0.00           H  
HETATM   70  H   UNL     1       8.918   1.492  -1.643  1.00  0.00           H  
HETATM   71  H   UNL     1       8.878   0.897   0.047  1.00  0.00           H  
HETATM   72  H   UNL     1       8.022  -0.484  -2.491  1.00  0.00           H  
HETATM   73  H   UNL     1       8.639  -1.194  -0.973  1.00  0.00           H  
HETATM   74  H   UNL     1       7.021  -3.650  -1.364  1.00  0.00           H  
HETATM   75  H   UNL     1       5.738  -3.490  -2.587  1.00  0.00           H  
HETATM   76  H   UNL     1       7.233  -2.535  -2.735  1.00  0.00           H  
HETATM   77  H   UNL     1       2.650  -0.801  -0.639  1.00  0.00           H  
CONECT    1   20   44   45   46                                       
CONECT    2   20   47   48   49                                       
CONECT    3   21   21                                                 
CONECT    4   22   23   50   51                                       
CONECT    5   23    6   52   53                                       
CONECT    6    5   11   11    7                                       
CONECT    7    6   29    8    8                                       
CONECT    8    7    7    9   54                                       
CONECT    9   10   10    8   55                                       
CONECT   10   11    9    9   56                                       
CONECT   11   24    6    6   10                                       
CONECT   12   13   25   25   57                                       
CONECT   13   26   14   14   12                                       
CONECT   14   13   13   15   58                                       
CONECT   15   14   24   24   59                                       
CONECT   16   31   29                                                 
CONECT   17   32   41   31   60                                       
CONECT   18   19   33   33   32                                       
CONECT   19   37   34   18   61                                       
CONECT   20    1   21    2                                            
CONECT   21    3    3   20   22                                       
CONECT   22   21    4   43   62                                       
CONECT   23    4    5                                                 
CONECT   24   15   15   25   11                                       
CONECT   25   12   12   24   63                                       
CONECT   26   28   28   27   13                                       
CONECT   27   26   64                                                 
CONECT   28   26   26                                                 
CONECT   29   16    7   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   17   16   65   66                                       
CONECT   32   18   17   67                                            
CONECT   33   18   18                                                 
CONECT   34   35   19   68   69                                       
CONECT   35   36   34   70   71                                       
CONECT   36   35   37   72   73                                       
CONECT   37   36   38   19                                            
CONECT   38   40   37   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   74   75   76                                       
CONECT   41   43   17   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   22   41   77                                            
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   22                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
