COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.331   4.847  -1.972  1.00  0.00           C  
HETATM    2  C   UNL     1       0.863   2.637  -1.275  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.447   2.292  -1.572  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.883   0.997  -1.381  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.005   0.030  -0.888  1.00  0.00           C  
HETATM    6  C   UNL     1       1.316   0.378  -0.588  1.00  0.00           C  
HETATM    7  C   UNL     1       5.257   1.538   0.252  1.00  0.00           C  
HETATM    8  C   UNL     1       5.452   2.906   0.231  1.00  0.00           C  
HETATM    9  C   UNL     1       6.690   3.432   0.550  1.00  0.00           C  
HETATM   10  C   UNL     1       7.732   2.591   0.889  1.00  0.00           C  
HETATM   11  C   UNL     1       7.538   1.222   0.910  1.00  0.00           C  
HETATM   12  C   UNL     1       6.298   0.696   0.597  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.558   0.887  -0.244  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.059   1.701   0.786  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.536   3.770   1.740  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.001   3.088   0.637  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357  -2.719   1.184  1.00  0.00           C  
HETATM   18  C   UNL     1       6.086  -0.796   0.619  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.469  -1.354  -0.683  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.580  -3.193  -0.221  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.514  -2.645  -1.304  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.313  -1.132  -1.426  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.686  -0.970   0.912  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.869  -2.478   1.102  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.998   3.008   2.719  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.006   2.779  -1.435  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.343  -4.003  -0.777  1.00  0.00           C  
HETATM   28  C   UNL     1       0.098  -3.705  -1.090  1.00  0.00           C  
HETATM   29  C   UNL     1       1.008  -4.872  -0.754  1.00  0.00           C  
HETATM   30  C   UNL     1       1.232  -4.982   0.724  1.00  0.00           C  
HETATM   31  C   UNL     1       0.956  -4.037   1.564  1.00  0.00           C  
HETATM   32  C   UNL     1       0.517  -2.448  -0.317  1.00  0.00           C  
HETATM   33  C   UNL     1       1.747   1.676  -0.787  1.00  0.00           C  
HETATM   34  C   UNL     1       3.908   0.963  -0.097  1.00  0.00           C  
HETATM   35  F   UNL     1       5.780  -1.242  -0.671  1.00  0.00           F  
HETATM   36  F   UNL     1       7.252  -1.426   1.067  1.00  0.00           F  
HETATM   37  F   UNL     1       5.029  -1.103   1.482  1.00  0.00           F  
HETATM   38  N   UNL     1      -1.724  -1.651  -0.812  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.188  -2.958  -0.611  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.603  -0.493  -0.135  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.460   3.578  -0.503  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.045   1.463  -1.324  1.00  0.00           N  
HETATM   43  O   UNL     1       1.288   3.914  -1.464  1.00  0.00           O  
HETATM   44  O   UNL     1       3.030   2.018  -0.497  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.737  -5.147  -0.676  1.00  0.00           O  
HETATM   46  S   UNL     1      -5.795   1.308   2.332  1.00  0.00           S  
HETATM   47  H   UNL     1      -0.025   4.509  -2.945  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.510   4.917  -1.282  1.00  0.00           H  
HETATM   49  H   UNL     1       0.799   5.826  -2.076  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.128   3.039  -1.953  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.904   0.732  -1.613  1.00  0.00           H  
HETATM   52  H   UNL     1       1.998  -0.367  -0.206  1.00  0.00           H  
HETATM   53  H   UNL     1       4.637   3.563  -0.034  1.00  0.00           H  
HETATM   54  H   UNL     1       6.842   4.502   0.534  1.00  0.00           H  
HETATM   55  H   UNL     1       8.700   3.003   1.138  1.00  0.00           H  
HETATM   56  H   UNL     1       8.351   0.565   1.179  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.569   4.849   1.788  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.703  -2.723   1.436  1.00  0.00           H  
HETATM   59  H   UNL     1       0.854  -1.928   1.745  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.750  -4.263  -0.101  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.284  -3.120  -2.257  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.549  -2.854  -1.032  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.282  -0.924  -1.711  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.987  -0.737  -2.186  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.905  -0.456   1.848  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.658  -0.764   0.617  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.893  -2.684   1.411  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.179  -2.834   1.867  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.439   3.381   3.632  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.583   3.212  -2.329  1.00  0.00           H  
HETATM   71  H   UNL     1       0.189  -3.505  -2.158  1.00  0.00           H  
HETATM   72  H   UNL     1       0.553  -5.795  -1.115  1.00  0.00           H  
HETATM   73  H   UNL     1       1.968  -4.731  -1.250  1.00  0.00           H  
HETATM   74  H   UNL     1       1.648  -5.901   1.110  1.00  0.00           H  
HETATM   75  H   UNL     1       1.171  -4.211   2.608  1.00  0.00           H  
HETATM   76  H   UNL     1       1.542  -2.165  -0.556  1.00  0.00           H  
HETATM   77  H   UNL     1       4.017   0.251  -0.914  1.00  0.00           H  
HETATM   78  H   UNL     1       3.493   0.456   0.774  1.00  0.00           H  
CONECT    1   43   47   48   49                                       
CONECT    2    3    3   33   43                                       
CONECT    3    4    2    2   50                                       
CONECT    4    5    5    3   51                                       
CONECT    5   19    4    4    6                                       
CONECT    6    5   33   33   52                                       
CONECT    7   12   34    8    8                                       
CONECT    8    7    7    9   53                                       
CONECT    9   10   10    8   54                                       
CONECT   10   11    9    9   55                                       
CONECT   11   12   12   10   56                                       
CONECT   12   18   11   11    7                                       
CONECT   13   40   42   42   14                                       
CONECT   14   13   46   16   16                                       
CONECT   15   16   25   25   57                                       
CONECT   16   14   14   41   15                                       
CONECT   17   31   32   58   59                                       
CONECT   18   37   35   36   12                                       
CONECT   19   32   38   38    5                                       
CONECT   20   24   21   39   60                                       
CONECT   21   22   20   61   62                                       
CONECT   22   40   21   63   64                                       
CONECT   23   24   40   65   66                                       
CONECT   24   23   20   67   68                                       
CONECT   25   46   15   15   69                                       
CONECT   26   42   41   41   70                                       
CONECT   27   45   45   28   39                                       
CONECT   28   29   27   32   71                                       
CONECT   29   30   28   72   73                                       
CONECT   30   29   31   31   74                                       
CONECT   31   30   30   17   75                                       
CONECT   32   28   17   19   76                                       
CONECT   33    6    6    2   44                                       
CONECT   34    7   44   77   78                                       
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   39   19   19                                            
CONECT   39   27   20   38                                            
CONECT   40   22   23   13                                            
CONECT   41   26   26   16                                            
CONECT   42   13   13   26                                            
CONECT   43    2    1                                                 
CONECT   44   33   34                                                 
CONECT   45   27   27                                                 
CONECT   46   14   25                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
