COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.949  -0.518   1.287  1.00  0.00           C  
HETATM    2  S   UNL     1      -1.141  -0.916   2.993  1.00  0.00           S  
HETATM    3  C   UNL     1      -1.904   0.248   0.646  1.00  0.00           C  
HETATM    4  C   UNL     1       0.152  -0.980   0.590  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.516   0.343   3.868  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.277  -2.018   3.232  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.541  -0.899   3.238  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.754   0.565  -0.689  1.00  0.00           C  
HETATM    9  C   UNL     1       0.305  -0.670  -0.746  1.00  0.00           C  
HETATM   10  C   UNL     1       0.799   0.285   4.333  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.343   1.518   4.154  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.649   0.104  -1.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.793   1.407  -1.386  1.00  0.00           C  
HETATM   14  C   UNL     1       1.724   1.239   3.927  1.00  0.00           C  
HETATM   15  C   UNL     1       1.185  -0.723   5.206  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.011   1.351   5.520  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.497   0.419  -2.746  1.00  0.00           N  
HETATM   18  C   UNL     1       3.024   1.179   4.389  1.00  0.00           C  
HETATM   19  C   UNL     1       2.488  -0.780   5.661  1.00  0.00           C  
HETATM   20  C   UNL     1       0.726   0.394  -3.311  1.00  0.00           C  
HETATM   21  C   UNL     1       3.406   0.171   5.254  1.00  0.00           C  
HETATM   22  C   UNL     1       0.874   0.592  -4.797  1.00  0.00           C  
HETATM   23  O   UNL     1       1.708   0.213  -2.622  1.00  0.00           O  
HETATM   24  C   UNL     1       0.104  -0.503  -5.536  1.00  0.00           C  
HETATM   25  C   UNL     1       0.314   1.961  -5.188  1.00  0.00           C  
HETATM   26  O   UNL     1       2.257   0.523  -5.151  1.00  0.00           O  
HETATM   27  F   UNL     1       0.241  -0.320  -6.917  1.00  0.00           F  
HETATM   28  F   UNL     1       0.615  -1.755  -5.179  1.00  0.00           F  
HETATM   29  F   UNL     1      -1.249  -0.437  -5.190  1.00  0.00           F  
HETATM   30  H   UNL     1      -2.764   0.607   1.192  1.00  0.00           H  
HETATM   31  H   UNL     1       0.894  -1.582   1.093  1.00  0.00           H  
HETATM   32  H   UNL     1       1.166  -1.030  -1.289  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.108   1.619   3.385  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.716   2.410   4.163  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.560   0.759  -1.810  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.249   2.089  -0.668  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.320   1.981  -2.183  1.00  0.00           H  
HETATM   38  H   UNL     1       1.426   2.027   3.250  1.00  0.00           H  
HETATM   39  H   UNL     1       0.469  -1.466   5.524  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.558   2.259   5.770  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.702   0.508   5.486  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.249   1.165   6.277  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.272   0.656  -3.279  1.00  0.00           H  
HETATM   44  H   UNL     1       3.743   1.920   4.073  1.00  0.00           H  
HETATM   45  H   UNL     1       2.789  -1.566   6.337  1.00  0.00           H  
HETATM   46  H   UNL     1       4.423   0.126   5.614  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.740   2.013  -4.918  1.00  0.00           H  
HETATM   48  H   UNL     1       0.863   2.742  -4.662  1.00  0.00           H  
HETATM   49  H   UNL     1       0.421   2.103  -6.264  1.00  0.00           H  
HETATM   50  H   UNL     1       2.570  -0.352  -4.889  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    1    5    6    6                                       
CONECT    2    7    7                                                 
CONECT    3    1    1    8   30                                       
CONECT    4    1    9    9   31                                       
CONECT    5    2   10   11                                            
CONECT    6    2    2                                                 
CONECT    7    2    2                                                 
CONECT    8    3   12   12   13                                       
CONECT    9    4    4   12   32                                       
CONECT   10    5   14   14   15                                       
CONECT   11    5   16   33   34                                       
CONECT   12    8    8    9   17                                       
CONECT   13    8   35   36   37                                       
CONECT   14   10   10   18   38                                       
CONECT   15   10   19   19   39                                       
CONECT   16   11   40   41   42                                       
CONECT   17   12   20   43                                            
CONECT   18   14   21   21   44                                       
CONECT   19   15   15   21   45                                       
CONECT   20   17   22   23   23                                       
CONECT   21   18   18   19   46                                       
CONECT   22   20   24   25   26                                       
CONECT   23   20   20                                                 
CONECT   24   22   27   28   29                                       
CONECT   25   22   47   48   49                                       
CONECT   26   22   50                                                 
CONECT   27   24                                                      
CONECT   28   24                                                      
CONECT   29   24                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
