COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.208  -0.180   0.181  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.227   0.141   0.352  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.920  -0.323   1.472  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.257  -0.021   1.626  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.912   0.740   0.675  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.375   1.061   0.848  1.00  0.00           C  
HETATM    7  C   UNL     1       2.327   0.769   0.188  1.00  0.00           C  
HETATM    8  C   UNL     1       2.414   2.155   0.336  1.00  0.00           C  
HETATM    9  C   UNL     1       3.634   2.768   0.295  1.00  0.00           C  
HETATM   10  C   UNL     1       4.790   2.023   0.107  1.00  0.00           C  
HETATM   11  C   UNL     1       6.697   0.338  -1.517  1.00  0.00           C  
HETATM   12  C   UNL     1       5.993  -0.140  -0.246  1.00  0.00           C  
HETATM   13  C   UNL     1       6.919   0.058   0.956  1.00  0.00           C  
HETATM   14  C   UNL     1       4.729   0.655  -0.042  1.00  0.00           C  
HETATM   15  C   UNL     1       3.496   0.008  -0.004  1.00  0.00           C  
HETATM   16  CA  UNL     1       1.759  -1.435  -0.010  1.00  0.00           C  
HETATM   17  C   UNL     1       1.009  -2.691  -0.084  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.856  -0.086  -1.666  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.231   1.203  -0.439  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.890   0.912  -0.602  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.878   1.946  -1.364  1.00  0.00           F  
HETATM   22  N   UNL     1       3.129  -1.312  -0.119  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.912  -1.073  -0.406  1.00  0.00           N  
HETATM   24  OXT UNL     1       1.662  -3.857  -0.274  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.203  -2.684   0.026  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.757   0.560   0.526  1.00  0.00           O  
HETATM   27  S   UNL     1      -5.372  -0.235   0.072  1.00  0.00           S  
HETATM   28  H   UNL     1      -0.410  -0.917   2.216  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.793  -0.380   2.492  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.612   1.114   1.910  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.595   2.019   0.377  1.00  0.00           H  
HETATM   32  H   UNL     1       1.518   2.741   0.482  1.00  0.00           H  
HETATM   33  H   UNL     1       3.700   3.839   0.410  1.00  0.00           H  
HETATM   34  H   UNL     1       5.748   2.521   0.077  1.00  0.00           H  
HETATM   35  H   UNL     1       7.611  -0.237  -1.664  1.00  0.00           H  
HETATM   36  H   UNL     1       6.037   0.197  -2.373  1.00  0.00           H  
HETATM   37  H   UNL     1       6.944   1.395  -1.420  1.00  0.00           H  
HETATM   38  H   UNL     1       5.745  -1.197  -0.343  1.00  0.00           H  
HETATM   39  H   UNL     1       7.167   1.116   1.053  1.00  0.00           H  
HETATM   40  H   UNL     1       6.418  -0.282   1.862  1.00  0.00           H  
HETATM   41  H   UNL     1       7.833  -0.517   0.809  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.095   0.475  -2.208  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.954  -1.081  -2.102  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.811   0.436  -1.734  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.359   1.274  -1.470  1.00  0.00           H  
HETATM   46  H   UNL     1       3.743  -2.049  -0.258  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.375  -0.520  -1.056  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.359  -1.324   0.400  1.00  0.00           H  
HETATM   49  HXT UNL     1       1.083  -4.630  -0.309  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.573   0.116   0.254  1.00  0.00           H  
CONECT    1    2   16   16    7                                       
CONECT    2   20   20    3    1                                       
CONECT    3    4    4    2   28                                       
CONECT    4    5    3    3   29                                       
CONECT    5    6   19   19    4                                       
CONECT    6   27    5   30   31                                       
CONECT    7    1    8    8   15                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   14   34                                       
CONECT   11   12   35   36   37                                       
CONECT   12   14   13   11   38                                       
CONECT   13   12   39   40   41                                       
CONECT   14   15   15   10   12                                       
CONECT   15    7   22   14   14                                       
CONECT   16   17    1    1   22                                       
CONECT   17   25   25   24   16                                       
CONECT   18   27   42   43   44                                       
CONECT   19   21    5    5   20                                       
CONECT   20   19    2    2   45                                       
CONECT   21   19                                                      
CONECT   22   16   15   46                                            
CONECT   23   27   47   48                                            
CONECT   24   17   49                                                 
CONECT   25   17   17                                                 
CONECT   26   27   50                                                 
CONECT   27   23   26   18    6                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
