COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.633   2.235  -0.750  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.922   1.429   0.385  1.00  0.00           S  
HETATM    3  O   UNL     1      -7.873   1.794   1.375  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.425  -0.141  -0.235  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.025  -0.548  -1.494  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.420  -1.780  -1.981  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.216  -2.605  -1.209  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.616  -2.199   0.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.217  -0.969   0.539  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.484   1.205   1.176  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.295   0.787   0.431  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.049   1.011   1.290  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.856   0.591   0.543  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.629   1.007   1.233  1.00  0.00           C  
HETATM   15  C   UNL     1       0.585   0.684   0.359  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.867  -0.858   0.305  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.690  -1.237  -0.597  1.00  0.00           C  
HETATM   18  C   UNL     1       0.619  -0.821   0.079  1.00  0.00           C  
HETATM   19  C   UNL     1       1.796  -1.142  -0.845  1.00  0.00           C  
HETATM   20  O   UNL     1       3.023  -0.863  -0.169  1.00  0.00           O  
HETATM   21  C   UNL     1       4.165  -1.094  -0.850  1.00  0.00           C  
HETATM   22  O   UNL     1       4.118  -1.521  -1.988  1.00  0.00           O  
HETATM   23  C   UNL     1       5.418  -0.838  -0.240  1.00  0.00           C  
HETATM   24  C   UNL     1       6.179  -1.728   0.502  1.00  0.00           C  
HETATM   25  O   UNL     1       5.843  -3.009   0.771  1.00  0.00           O  
HETATM   26  C   UNL     1       6.762  -3.770   1.556  1.00  0.00           C  
HETATM   27  C   UNL     1       6.178   0.427  -0.273  1.00  0.00           C  
HETATM   28  C   UNL     1       7.348   0.197   0.466  1.00  0.00           C  
HETATM   29  N   UNL     1       7.315  -1.111   0.917  1.00  0.00           N  
HETATM   30  C   UNL     1       5.950   1.672  -0.853  1.00  0.00           C  
HETATM   31  C   UNL     1       6.880   2.680  -0.697  1.00  0.00           C  
HETATM   32  F   UNL     1       6.663   3.890  -1.257  1.00  0.00           F  
HETATM   33  C   UNL     1       8.039   2.453   0.034  1.00  0.00           C  
HETATM   34  C   UNL     1       8.275   1.224   0.612  1.00  0.00           C  
HETATM   35  H   UNL     1      -6.403   0.097  -2.098  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.108  -2.097  -2.965  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.525  -3.567  -1.589  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.238  -2.843   0.654  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.526  -0.652   1.524  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.430   1.351   2.134  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.377  -0.271   0.179  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.215   1.373  -0.485  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.967   2.069   1.542  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.129   0.425   2.206  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.664   2.080   1.423  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.547   0.474   2.180  1.00  0.00           H  
HETATM   47  H   UNL     1       0.510   1.228  -0.583  1.00  0.00           H  
HETATM   48  H   UNL     1       1.497   0.979   0.878  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.779  -1.382   1.256  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.802  -1.139  -0.180  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.689  -2.314  -0.761  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.785  -0.723  -1.554  1.00  0.00           H  
HETATM   53  H   UNL     1       0.733  -1.364   1.017  1.00  0.00           H  
HETATM   54  H   UNL     1       1.765  -2.197  -1.120  1.00  0.00           H  
HETATM   55  H   UNL     1       1.729  -0.530  -1.745  1.00  0.00           H  
HETATM   56  H   UNL     1       7.723  -3.821   1.043  1.00  0.00           H  
HETATM   57  H   UNL     1       6.893  -3.293   2.527  1.00  0.00           H  
HETATM   58  H   UNL     1       6.372  -4.778   1.697  1.00  0.00           H  
HETATM   59  H   UNL     1       8.007  -1.529   1.453  1.00  0.00           H  
HETATM   60  H   UNL     1       5.049   1.849  -1.421  1.00  0.00           H  
HETATM   61  H   UNL     1       8.762   3.247   0.151  1.00  0.00           H  
HETATM   62  H   UNL     1       9.179   1.058   1.179  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3   10    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9    4    4    8   39                                       
CONECT   10    2   11   40                                            
CONECT   11   10   12   41   42                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   16   14                                            
CONECT   14   13   15   45   46                                       
CONECT   15   14   18   47   48                                       
CONECT   16   13   17   49   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   15   19   53                                       
CONECT   19   18   20   54   55                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   27   24   24                                       
CONECT   24   23   23   25   29                                       
CONECT   25   24   26                                                 
CONECT   26   25   56   57   58                                       
CONECT   27   30   23   28   28                                       
CONECT   28   27   27   34   29                                       
CONECT   29   24   28   59                                            
CONECT   30   31   31   27   60                                       
CONECT   31   32   30   30   33                                       
CONECT   32   31                                                      
CONECT   33   31   34   34   61                                       
CONECT   34   33   33   28   62                                       
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
