COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.464   4.598  -3.445  1.00  0.00           C  
HETATM    2  O   UNL     1       2.567   3.524  -3.731  1.00  0.00           O  
HETATM    3  C   UNL     1       1.943   2.942  -2.673  1.00  0.00           C  
HETATM    4  C   UNL     1       1.059   1.893  -2.879  1.00  0.00           C  
HETATM    5  C   UNL     1       0.426   1.304  -1.801  1.00  0.00           C  
HETATM    6  C   UNL     1       2.194   3.393  -1.385  1.00  0.00           C  
HETATM    7  C   UNL     1       1.559   2.800  -0.311  1.00  0.00           C  
HETATM    8  C   UNL     1       0.673   1.758  -0.519  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.136   1.005   0.852  1.00  0.00           S  
HETATM   10  O   UNL     1      -0.142   1.970   1.895  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.319   0.406   0.341  1.00  0.00           O  
HETATM   12  N   UNL     1       0.830  -0.237   1.370  1.00  0.00           N  
HETATM   13  C   UNL     1       1.865  -0.029   2.386  1.00  0.00           C  
HETATM   14  C   UNL     1       3.169   0.327   1.729  1.00  0.00           C  
HETATM   15  C   UNL     1       3.883   1.399   2.222  1.00  0.00           C  
HETATM   16  C   UNL     1       5.125   1.732   1.679  1.00  0.00           C  
HETATM   17  C   UNL     1       5.865   2.846   2.191  1.00  0.00           C  
HETATM   18  N   UNL     1       6.452   3.729   2.598  1.00  0.00           N  
HETATM   19  C   UNL     1       5.638   0.965   0.629  1.00  0.00           C  
HETATM   20  C   UNL     1       4.910  -0.084   0.128  1.00  0.00           C  
HETATM   21  C   UNL     1       3.655  -0.415   0.661  1.00  0.00           C  
HETATM   22  N   UNL     1       2.986  -1.454   0.008  1.00  0.00           N  
HETATM   23  C   UNL     1       3.932  -2.323  -0.704  1.00  0.00           C  
HETATM   24  C   UNL     1       3.171  -3.393  -1.445  1.00  0.00           C  
HETATM   25  C   UNL     1       2.748  -3.338  -2.722  1.00  0.00           C  
HETATM   26  N   UNL     1       2.114  -4.487  -2.999  1.00  0.00           N  
HETATM   27  C   UNL     1       2.127  -5.252  -1.941  1.00  0.00           C  
HETATM   28  N   UNL     1       2.782  -4.608  -0.950  1.00  0.00           N  
HETATM   29  C   UNL     1       3.023  -5.114   0.403  1.00  0.00           C  
HETATM   30  C   UNL     1       2.083  -2.240   0.851  1.00  0.00           C  
HETATM   31  C   UNL     1       0.685  -1.581   0.842  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.275  -2.389   1.717  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.663  -1.813   1.606  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.527  -2.277   0.632  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.800  -1.751   0.528  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.072  -0.824   2.482  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.344  -0.295   2.383  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.211  -0.755   1.402  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.463  -0.236   1.303  1.00  0.00           O  
HETATM   40  S   UNL     1      -5.560   0.973   0.383  1.00  0.00           S  
HETATM   41  O   UNL     1      -6.857   1.498   0.631  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.394   1.731   0.675  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.464   0.278  -1.290  1.00  0.00           C  
HETATM   44  F   UNL     1      -5.545   1.311  -2.230  1.00  0.00           F  
HETATM   45  F   UNL     1      -4.250  -0.400  -1.445  1.00  0.00           F  
HETATM   46  F   UNL     1      -6.524  -0.614  -1.486  1.00  0.00           F  
HETATM   47  H   UNL     1       2.922   5.402  -2.947  1.00  0.00           H  
HETATM   48  H   UNL     1       4.263   4.241  -2.794  1.00  0.00           H  
HETATM   49  H   UNL     1       3.893   4.971  -4.375  1.00  0.00           H  
HETATM   50  H   UNL     1       0.865   1.538  -3.880  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.263   0.488  -1.961  1.00  0.00           H  
HETATM   52  H   UNL     1       2.886   4.206  -1.222  1.00  0.00           H  
HETATM   53  H   UNL     1       1.754   3.150   0.692  1.00  0.00           H  
HETATM   54  H   UNL     1       1.562   0.781   3.050  1.00  0.00           H  
HETATM   55  H   UNL     1       1.992  -0.943   2.966  1.00  0.00           H  
HETATM   56  H   UNL     1       3.478   1.986   3.033  1.00  0.00           H  
HETATM   57  H   UNL     1       6.607   1.198   0.212  1.00  0.00           H  
HETATM   58  H   UNL     1       5.309  -0.664  -0.691  1.00  0.00           H  
HETATM   59  H   UNL     1       4.508  -1.730  -1.414  1.00  0.00           H  
HETATM   60  H   UNL     1       4.608  -2.789   0.013  1.00  0.00           H  
HETATM   61  H   UNL     1       2.894  -2.514  -3.404  1.00  0.00           H  
HETATM   62  H   UNL     1       1.691  -6.237  -1.871  1.00  0.00           H  
HETATM   63  H   UNL     1       3.909  -5.749   0.401  1.00  0.00           H  
HETATM   64  H   UNL     1       3.179  -4.275   1.082  1.00  0.00           H  
HETATM   65  H   UNL     1       2.162  -5.694   0.734  1.00  0.00           H  
HETATM   66  H   UNL     1       2.010  -3.255   0.461  1.00  0.00           H  
HETATM   67  H   UNL     1       2.465  -2.265   1.872  1.00  0.00           H  
HETATM   68  H   UNL     1       0.305  -1.535  -0.179  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.284  -3.427   1.384  1.00  0.00           H  
HETATM   70  H   UNL     1       0.055  -2.344   2.755  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.207  -3.053  -0.048  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.474  -2.114  -0.233  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.396  -0.465   3.245  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.663   0.478   3.067  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   50                                       
CONECT    5    4    8    8   51                                       
CONECT    6    3    7    7   52                                       
CONECT    7    6    6    8   53                                       
CONECT    8    5    5    7    9                                       
CONECT    9   12    8   11   11                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13   31    9                                            
CONECT   13   14   12   54   55                                       
CONECT   14   15   15   21   13                                       
CONECT   15   16   14   14   56                                       
CONECT   16   17   19   19   15                                       
CONECT   17   18   18   18   16                                       
CONECT   18   17   17   17                                            
CONECT   19   16   16   20   57                                       
CONECT   20   19   21   21   58                                       
CONECT   21   20   20   22   14                                       
CONECT   22   21   23   30                                            
CONECT   23   24   22   59   60                                       
CONECT   24   25   25   28   23                                       
CONECT   25   26   24   24   61                                       
CONECT   26   27   27   25                                            
CONECT   27   26   26   28   62                                       
CONECT   28   27   24   29                                            
CONECT   29   28   63   64   65                                       
CONECT   30   22   31   66   67                                       
CONECT   31   30   12   32   68                                       
CONECT   32   31   33   69   70                                       
CONECT   33   36   32   34   34                                       
CONECT   34   33   33   35   71                                       
CONECT   35   38   38   34   72                                       
CONECT   36   37   37   33   73                                       
CONECT   37   36   36   38   74                                       
CONECT   38   37   39   35   35                                       
CONECT   39   40   38                                                 
CONECT   40   41   41   39   42                                       
CONECT   40   42   43                                                 
CONECT   41   40   40                                                 
CONECT   42   40   40                                                 
CONECT   43   40   46   45   44                                       
CONECT   44   43                                                      
CONECT   45   43                                                      
CONECT   46   43                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
