COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -1.545   1.286  -1.788  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -2.739   1.521  -0.550  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.832   2.740   0.099  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.787   2.929   1.081  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.648   1.902   1.415  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.556   0.683   0.766  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.639  -0.608   1.186  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -3.601   0.493  -0.216  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.504  -0.833  -0.927  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.926  -1.937  -0.034  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.033  -3.078  -0.266  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.080  -2.727  -1.285  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.707  -3.321  -0.960  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.025  -1.179  -1.241  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.112  -0.701  -0.142  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.537  -0.569   0.986  1.00  0.00           O  
HETATM   17  N   UNL     1       0.178  -0.419  -0.413  1.00  0.00           N  
HETATM   18  CA  UNL     1       1.066   0.046   0.656  1.00  0.00           C  
HETATM   19  C   UNL     1       0.924   1.538   0.813  1.00  0.00           C  
HETATM   20  O   UNL     1       0.159   2.150   0.106  1.00  0.00           O  
HETATM   21  C   UNL     1       2.515  -0.293   0.299  1.00  0.00           C  
HETATM   22  S   UNL     1       3.097   0.708  -1.133  1.00  0.00           S  
HETATM   23  C   UNL     1       4.867   0.664  -0.643  1.00  0.00           C  
HETATM   24  C   UNL     1       5.625  -0.389  -1.454  1.00  0.00           C  
HETATM   25  C   UNL     1       5.509   2.042  -0.820  1.00  0.00           C  
HETATM   26  CA  UNL     1       4.819   0.272   0.846  1.00  0.00           C  
HETATM   27  N   UNL     1       3.451   0.165   1.362  1.00  0.00           N  
HETATM   28  C   UNL     1       5.520  -1.077   1.023  1.00  0.00           C  
HETATM   29  OXT UNL     1       6.903  -0.942   0.688  1.00  0.00           O  
HETATM   30  O   UNL     1       5.399  -1.501   2.382  1.00  0.00           O  
HETATM   31  H   UNL     1      -2.159   3.543  -0.162  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.859   3.880   1.587  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.394   2.050   2.182  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.102  -0.825  -1.838  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.901  -1.650   0.933  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.421  -3.071  -2.261  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.779  -4.408  -0.931  1.00  0.00           H  
HETATM   38  H   UNL     1       0.007  -3.024  -1.727  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.373  -2.953   0.010  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.723  -0.770  -2.205  1.00  0.00           H  
HETATM   41  H   UNL     1       0.518  -0.524  -1.315  1.00  0.00           H  
HETATM   42  HA  UNL     1       0.798  -0.445   1.591  1.00  0.00           H  
HETATM   43  H   UNL     1       1.505   2.060   1.558  1.00  0.00           H  
HETATM   44  H   UNL     1       2.630  -1.360   0.106  1.00  0.00           H  
HETATM   45  H   UNL     1       5.558  -0.149  -2.515  1.00  0.00           H  
HETATM   46  H   UNL     1       6.672  -0.399  -1.149  1.00  0.00           H  
HETATM   47  H   UNL     1       5.186  -1.370  -1.275  1.00  0.00           H  
HETATM   48  H   UNL     1       4.972   2.773  -0.216  1.00  0.00           H  
HETATM   49  H   UNL     1       6.550   2.001  -0.500  1.00  0.00           H  
HETATM   50  H   UNL     1       5.462   2.333  -1.869  1.00  0.00           H  
HETATM   51  HA  UNL     1       5.354   1.024   1.425  1.00  0.00           H  
HETATM   52  H   UNL     1       3.146   1.040   1.761  1.00  0.00           H  
HETATM   53  HXT UNL     1       7.379  -0.299   1.232  1.00  0.00           H  
HETATM   54  H   UNL     1       5.821  -2.351   2.568  1.00  0.00           H  
HETATM   55  H   UNL     1       5.058  -1.816   0.369  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    8    1                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    5    3   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    2    9                                       
CONECT    9    8   10   14   34                                       
CONECT   10    9   11   35                                            
CONECT   11   10   12                                                 
CONECT   12   14   11   13   36                                       
CONECT   13   12   37   38   39                                       
CONECT   14    9   15   12   40                                       
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   41                                            
CONECT   18   19   17   21   42                                       
CONECT   19   20   20   18   43                                       
CONECT   20   19   19                                                 
CONECT   21   18   27   22   44                                       
CONECT   22   21   23                                                 
CONECT   23   26   22   24   25                                       
CONECT   24   23   45   46   47                                       
CONECT   25   23   48   49   50                                       
CONECT   26   27   28   23   51                                       
CONECT   27   21   26   52                                            
CONECT   28   30   26   29   55                                       
CONECT   29   28   53                                                 
CONECT   30   28   54                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
