COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.626  -1.590   0.383  1.00  0.00           C  
HETATM    2  S   UNL     1      -4.035  -2.604   0.079  1.00  0.00           S  
HETATM    3  O   UNL     1      -4.222  -2.619  -1.329  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.854  -3.783   0.852  1.00  0.00           O  
HETATM    5  N   UNL     1      -5.348  -1.824   0.718  1.00  0.00           N  
HETATM    6  C   UNL     1       2.035   0.196   0.549  1.00  0.00           C  
HETATM    7  C   UNL     1       0.787   0.871   1.121  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.418   0.003   0.861  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.793  -0.953   1.786  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.898  -1.749   1.547  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.247  -0.638  -0.545  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.143   0.158  -0.306  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.759  -0.610   0.188  1.00  0.00           C  
HETATM   14  S   UNL     1      -7.129   0.357   0.738  1.00  0.00           S  
HETATM   15  C   UNL     1      -6.748   1.545  -0.511  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.712   1.121  -1.158  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.200   0.025  -0.803  1.00  0.00           N  
HETATM   18  C   UNL     1      -7.497   2.825  -0.775  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.551   4.015  -0.603  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.043   2.810  -2.204  1.00  0.00           C  
HETATM   21  C   UNL     1       5.771  -0.945  -0.693  1.00  0.00           C  
HETATM   22  C   UNL     1       6.912  -0.197  -0.486  1.00  0.00           C  
HETATM   23  C   UNL     1       4.463   0.631   0.371  1.00  0.00           C  
HETATM   24  N   UNL     1       4.596  -0.521  -0.267  1.00  0.00           N  
HETATM   25  C   UNL     1       5.571   1.438   0.614  1.00  0.00           C  
HETATM   26  C   UNL     1       6.817   1.019   0.179  1.00  0.00           C  
HETATM   27  N   UNL     1       3.205   1.040   0.802  1.00  0.00           N  
HETATM   28  C   UNL     1       8.248  -0.693  -0.976  1.00  0.00           C  
HETATM   29  F   UNL     1       8.082  -1.930  -1.609  1.00  0.00           F  
HETATM   30  F   UNL     1       8.782   0.227  -1.885  1.00  0.00           F  
HETATM   31  F   UNL     1       9.119  -0.837   0.109  1.00  0.00           F  
HETATM   32 CL   UNL     1       5.394   2.949   1.450  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -2.192  -2.496   2.270  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.814  -0.516  -1.456  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.831  -2.216   1.462  1.00  0.00           H  
HETATM   36  H   UNL     1       2.175  -0.773   1.028  1.00  0.00           H  
HETATM   37  H   UNL     1       1.913   0.056  -0.525  1.00  0.00           H  
HETATM   38  H   UNL     1       0.909   1.010   2.195  1.00  0.00           H  
HETATM   39  H   UNL     1       0.646   1.840   0.642  1.00  0.00           H  
HETATM   40  H   UNL     1       3.103   1.883   1.270  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.224  -1.078   2.695  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.849   0.905  -1.029  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.325   2.914  -0.071  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.162   4.025   0.415  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.724   3.926  -1.307  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.093   4.941  -0.795  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.718   1.962  -2.327  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.585   3.736  -2.396  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.216   2.721  -2.908  1.00  0.00           H  
HETATM   50  H   UNL     1       5.840  -1.889  -1.213  1.00  0.00           H  
HETATM   51  H   UNL     1       7.695   1.623   0.354  1.00  0.00           H  
CONECT    1    2   10   11   11                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2   13   35                                            
CONECT    6    7   27   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   12   12                                       
CONECT    9    8   10   10   41                                       
CONECT   10    1    9    9   33                                       
CONECT   11    1    1   12   34                                       
CONECT   12    8    8   11   42                                       
CONECT   13    5   14   17   17                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17                                            
CONECT   17   13   13   16                                            
CONECT   18   15   19   20   43                                       
CONECT   19   18   44   45   46                                       
CONECT   20   18   47   48   49                                       
CONECT   21   22   24   24   50                                       
CONECT   22   21   26   26   28                                       
CONECT   23   24   25   25   27                                       
CONECT   24   21   21   23                                            
CONECT   25   23   23   26   32                                       
CONECT   26   22   22   25   51                                       
CONECT   27    6   23   40                                            
CONECT   28   22   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   25                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   27                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
