COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.889  -0.574   0.186  1.00  0.00           C  
HETATM    2  C   UNL     1       5.330  -1.854  -0.099  1.00  0.00           C  
HETATM    3  C   UNL     1       6.657  -2.080  -0.419  1.00  0.00           C  
HETATM    4  C   UNL     1       9.506   1.153  -0.559  1.00  0.00           C  
HETATM    5  C   UNL     1       8.060   1.395  -0.210  1.00  0.00           C  
HETATM    6  C   UNL     1       7.549  -1.029  -0.457  1.00  0.00           C  
HETATM    7  C   UNL     1       7.111   0.265  -0.171  1.00  0.00           C  
HETATM    8  C   UNL     1       5.771   0.486   0.151  1.00  0.00           C  
HETATM    9  C   UNL     1       1.288  -1.411   0.145  1.00  0.00           C  
HETATM   10  C   UNL     1       3.441  -0.337   0.528  1.00  0.00           C  
HETATM   11  C   UNL     1       3.270  -0.333   2.048  1.00  0.00           C  
HETATM   12  C   UNL     1       2.997   1.014  -0.038  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.862  -2.343  -0.276  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.514  -1.120  -0.281  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.904  -1.076  -0.169  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.628  -2.264  -0.052  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.968  -3.477  -0.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.591  -3.520  -0.164  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.607   0.225  -0.173  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.418   2.577  -0.217  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.345   1.621  -0.097  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.814   1.940   0.007  1.00  0.00           C  
HETATM   23  F   UNL     1      -7.375   1.976  -1.274  1.00  0.00           F  
HETATM   24  F   UNL     1      -7.452   0.954   0.768  1.00  0.00           F  
HETATM   25  F   UNL     1      -6.979   3.185   0.624  1.00  0.00           F  
HETATM   26  N   UNL     1       7.651   2.593   0.055  1.00  0.00           N  
HETATM   27  N   UNL     1       2.621  -1.403  -0.053  1.00  0.00           N  
HETATM   28  N   UNL     1       0.533  -2.392  -0.389  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.895   0.387  -0.075  1.00  0.00           N  
HETATM   30  O   UNL     1       8.561   3.677   0.018  1.00  0.00           O  
HETATM   31  O   UNL     1       0.766  -0.534   0.806  1.00  0.00           O  
HETATM   32  S   UNL     1      -2.836   1.804  -0.304  1.00  0.00           S  
HETATM   33 CL   UNL     1      -5.357  -2.216   0.096  1.00  0.00          Cl  
HETATM   34  H   UNL     1       4.636  -2.681  -0.071  1.00  0.00           H  
HETATM   35  H   UNL     1       6.995  -3.082  -0.640  1.00  0.00           H  
HETATM   36  H   UNL     1       9.640   1.241  -1.637  1.00  0.00           H  
HETATM   37  H   UNL     1      10.130   1.891  -0.054  1.00  0.00           H  
HETATM   38  H   UNL     1       9.795   0.152  -0.238  1.00  0.00           H  
HETATM   39  H   UNL     1       8.585  -1.207  -0.707  1.00  0.00           H  
HETATM   40  H   UNL     1       5.425   1.485   0.373  1.00  0.00           H  
HETATM   41  H   UNL     1       2.223  -0.161   2.296  1.00  0.00           H  
HETATM   42  H   UNL     1       3.586  -1.295   2.452  1.00  0.00           H  
HETATM   43  H   UNL     1       3.880   0.460   2.480  1.00  0.00           H  
HETATM   44  H   UNL     1       3.119   1.011  -1.122  1.00  0.00           H  
HETATM   45  H   UNL     1       1.950   1.185   0.209  1.00  0.00           H  
HETATM   46  H   UNL     1       3.608   1.807   0.394  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.949  -0.204  -0.372  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.529  -4.395   0.043  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.080  -4.471  -0.161  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.605   3.640  -0.252  1.00  0.00           H  
HETATM   51  H   UNL     1       3.037  -2.102  -0.580  1.00  0.00           H  
HETATM   52  H   UNL     1       0.956  -3.132  -0.852  1.00  0.00           H  
HETATM   53  H   UNL     1       8.163   4.533   0.230  1.00  0.00           H  
CONECT    1   10    8    8    2                                       
CONECT    2    1    3    3   34                                       
CONECT    3    2    2    6   35                                       
CONECT    4    5   36   37   38                                       
CONECT    5   26   26    7    4                                       
CONECT    6    7    7    3   39                                       
CONECT    7    8    5    6    6                                       
CONECT    8    1    1    7   40                                       
CONECT    9   28   31   31   27                                       
CONECT   10   27   11   12    1                                       
CONECT   11   10   41   42   43                                       
CONECT   12   10   44   45   46                                       
CONECT   13   18   18   14   28                                       
CONECT   14   15   15   13   47                                       
CONECT   15   16   19   14   14                                       
CONECT   16   33   17   17   15                                       
CONECT   17   16   16   18   48                                       
CONECT   18   17   13   13   49                                       
CONECT   19   32   15   29   29                                       
CONECT   20   32   21   21   50                                       
CONECT   21   20   20   29   22                                       
CONECT   22   21   25   24   23                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   30    5    5                                            
CONECT   27    9   10   51                                            
CONECT   28   13    9   52                                            
CONECT   29   19   19   21                                            
CONECT   30   26   53                                                 
CONECT   31    9    9                                                 
CONECT   32   20   19                                                 
CONECT   33   16                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
