COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.849   4.868  -0.176  1.00  0.00           C  
HETATM    2  C   UNL     1       4.942   3.364  -0.145  1.00  0.00           C  
HETATM    3  C   UNL     1       4.420   2.618  -1.185  1.00  0.00           C  
HETATM    4  C   UNL     1       4.505   1.238  -1.156  1.00  0.00           C  
HETATM    5  C   UNL     1       5.111   0.605  -0.087  1.00  0.00           C  
HETATM    6  S   UNL     1       5.213  -1.153  -0.047  1.00  0.00           S  
HETATM    7  O   UNL     1       6.302  -1.473   0.807  1.00  0.00           O  
HETATM    8  N   UNL     1       3.847  -1.706   0.709  1.00  0.00           N  
HETATM    9  C   UNL     1       2.639  -1.516   0.142  1.00  0.00           C  
HETATM   10  N   UNL     1       1.528  -1.966   0.757  1.00  0.00           N  
HETATM   11  C   UNL     1       0.215  -1.760   0.141  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.758  -2.831   0.641  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -2.575   0.041  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.610  -1.240   0.437  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.912  -1.027   0.021  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.495   0.132   0.290  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.737   0.371  -0.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.393   1.692   0.210  1.00  0.00           C  
HETATM   19  F   UNL     1      -5.461   2.545   0.812  1.00  0.00           F  
HETATM   20  F   UNL     1      -6.857   2.271  -0.976  1.00  0.00           F  
HETATM   21  F   UNL     1      -7.468   1.487   1.081  1.00  0.00           F  
HETATM   22  C   UNL     1      -6.428  -0.609  -0.794  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.788  -1.810  -1.058  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.545  -1.984  -0.641  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.716  -0.192  -0.072  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.319  -0.377   0.524  1.00  0.00           C  
HETATM   27  O   UNL     1       2.552  -0.940  -0.925  1.00  0.00           O  
HETATM   28  O   UNL     1       5.129  -1.591  -1.397  1.00  0.00           O  
HETATM   29  C   UNL     1       5.633   1.352   0.952  1.00  0.00           C  
HETATM   30  C   UNL     1       5.554   2.731   0.921  1.00  0.00           C  
HETATM   31  H   UNL     1       3.922   5.185   0.303  1.00  0.00           H  
HETATM   32  H   UNL     1       5.698   5.296   0.357  1.00  0.00           H  
HETATM   33  H   UNL     1       4.859   5.212  -1.211  1.00  0.00           H  
HETATM   34  H   UNL     1       3.946   3.112  -2.020  1.00  0.00           H  
HETATM   35  H   UNL     1       4.097   0.655  -1.969  1.00  0.00           H  
HETATM   36  H   UNL     1       3.917  -2.166   1.560  1.00  0.00           H  
HETATM   37  H   UNL     1       1.597  -2.427   1.608  1.00  0.00           H  
HETATM   38  H   UNL     1       0.307  -1.829  -0.943  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.406  -3.816   0.334  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.819  -2.789   1.728  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.084  -2.631  -1.046  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.842  -3.327   0.407  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.443  -0.441  -1.122  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.299  -2.595  -1.597  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.659  -0.260  -1.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.105   0.786   0.211  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.373  -0.296   1.610  1.00  0.00           H  
HETATM   48  H   UNL     1       0.348   0.391   0.134  1.00  0.00           H  
HETATM   49  H   UNL     1       6.107   0.857   1.788  1.00  0.00           H  
HETATM   50  H   UNL     1       5.961   3.315   1.733  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2   30   30    3    1                                       
CONECT    3    4    4    2   34                                       
CONECT    4    5    3    3   35                                       
CONECT    5    6   29   29    4                                       
CONECT    6    8    7    7   28                                       
CONECT    6   28    5                                                 
CONECT    7    6    6                                                 
CONECT    8    9    6   36                                            
CONECT    9   10   27   27    8                                       
CONECT   10   11    9   37                                            
CONECT   11   26   12   10   38                                       
CONECT   12   13   11   39   40                                       
CONECT   13   14   12   41   42                                       
CONECT   14   15   25   13                                            
CONECT   15   16   16   24   14                                       
CONECT   16   17   15   15                                            
CONECT   17   18   22   22   16                                       
CONECT   18   19   20   21   17                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   17   17   23   43                                       
CONECT   23   22   24   24   44                                       
CONECT   24   23   23   15                                            
CONECT   25   14   26   45   46                                       
CONECT   26   25   11   47   48                                       
CONECT   27    9    9                                                 
CONECT   28    6    6                                                 
CONECT   29    5    5   30   49                                       
CONECT   30   29    2    2   50                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
