COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.628  -4.034  -0.029  1.00  0.00           O  
HETATM    2  C   UNL     1       2.109  -3.400   0.194  1.00  0.00           C  
HETATM    3  C   UNL     1       1.611  -1.090  -0.332  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.600  -0.646  -0.212  1.00  0.00           C  
HETATM    5  C   UNL     1       2.996  -0.864  -0.533  1.00  0.00           C  
HETATM    6  O   UNL     1       5.249   4.916   1.522  1.00  0.00           O  
HETATM    7  C   UNL     1       3.895  -1.875  -0.379  1.00  0.00           C  
HETATM    8  O   UNL     1       3.431   0.375  -0.887  1.00  0.00           O  
HETATM    9  C   UNL     1       3.466  -3.159  -0.013  1.00  0.00           C  
HETATM   10  O   UNL     1       4.030  -5.481   0.503  1.00  0.00           O  
HETATM   11  C   UNL     1       4.445  -4.248   0.152  1.00  0.00           C  
HETATM   12  C   UNL     1       4.838   0.539  -1.075  1.00  0.00           C  
HETATM   13  C   UNL     1       5.135   1.987  -1.468  1.00  0.00           C  
HETATM   14  N   UNL     1       4.785   2.878  -0.354  1.00  0.00           N  
HETATM   15  C   UNL     1       5.665   2.649   0.801  1.00  0.00           C  
HETATM   16  C   UNL     1       4.830   4.287  -0.772  1.00  0.00           C  
HETATM   17  C   UNL     1       4.402   5.175   0.399  1.00  0.00           C  
HETATM   18  C   UNL     1       5.228   3.554   1.956  1.00  0.00           C  
HETATM   19  N   UNL     1       0.594  -0.218  -0.444  1.00  0.00           N  
HETATM   20  S   UNL     1      -0.565  -2.352   0.211  1.00  0.00           S  
HETATM   21  C   UNL     1       1.188  -2.374   0.034  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.744   0.126  -0.286  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.946  -0.424  -0.024  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.024  -1.601   0.278  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.159   0.394  -0.102  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.220   1.731  -0.430  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.517   2.127  -0.394  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.016   3.518  -0.689  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.290   1.069  -0.049  1.00  0.00           C  
HETATM   30 CL   UNL     1      -8.017   1.080   0.124  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -5.450  -0.036   0.133  1.00  0.00           C  
HETATM   32 CL   UNL     1      -5.938  -1.640   0.581  1.00  0.00          Cl  
HETATM   33  H   UNL     1       1.774  -4.388   0.476  1.00  0.00           H  
HETATM   34  H   UNL     1       4.947  -1.686  -0.535  1.00  0.00           H  
HETATM   35  H   UNL     1       4.709  -6.162   0.599  1.00  0.00           H  
HETATM   36  H   UNL     1       5.359   0.300  -0.147  1.00  0.00           H  
HETATM   37  H   UNL     1       5.180  -0.129  -1.866  1.00  0.00           H  
HETATM   38  H   UNL     1       6.195   2.092  -1.697  1.00  0.00           H  
HETATM   39  H   UNL     1       4.545   2.254  -2.345  1.00  0.00           H  
HETATM   40  H   UNL     1       5.597   1.606   1.109  1.00  0.00           H  
HETATM   41  H   UNL     1       6.694   2.881   0.526  1.00  0.00           H  
HETATM   42  H   UNL     1       5.845   4.545  -1.072  1.00  0.00           H  
HETATM   43  H   UNL     1       4.152   4.440  -1.611  1.00  0.00           H  
HETATM   44  H   UNL     1       3.368   4.954   0.665  1.00  0.00           H  
HETATM   45  H   UNL     1       4.488   6.223   0.112  1.00  0.00           H  
HETATM   46  H   UNL     1       5.913   3.429   2.795  1.00  0.00           H  
HETATM   47  H   UNL     1       4.219   3.286   2.267  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.682   1.064  -0.527  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.462   2.295  -0.649  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.240   3.605  -1.753  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.920   3.710  -0.111  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.250   4.245  -0.419  1.00  0.00           H  
CONECT    1   11   11                                                 
CONECT    2   21   21    9   33                                       
CONECT    3   19    5    5   21                                       
CONECT    4   19   19   22   20                                       
CONECT    5    8    3    3    7                                       
CONECT    6   17   18                                                 
CONECT    7    5    9    9   34                                       
CONECT    8   12    5                                                 
CONECT    9    7    7    2   11                                       
CONECT   10   11   35                                                 
CONECT   11    9    1    1   10                                       
CONECT   12   13    8   36   37                                       
CONECT   13   14   12   38   39                                       
CONECT   14   13   16   15                                            
CONECT   15   14   18   40   41                                       
CONECT   16   14   17   42   43                                       
CONECT   17   16    6   44   45                                       
CONECT   18   15    6   46   47                                       
CONECT   19    3    4    4                                            
CONECT   20    4   21                                                 
CONECT   21    3   20    2    2                                       
CONECT   22    4   23   48                                            
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   31   31   26   23                                       
CONECT   26   27   25   49                                            
CONECT   27   29   29   28   26                                       
CONECT   28   27   50   51   52                                       
CONECT   29   30   31   27   27                                       
CONECT   30   29                                                      
CONECT   31   32   29   25   25                                       
CONECT   32   31                                                      
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
