COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.218  -1.001  -1.935  1.00  0.00           O  
HETATM    2  S   UNL     1       6.145  -1.066  -0.517  1.00  0.00           S  
HETATM    3  O   UNL     1       6.585  -2.189   0.233  1.00  0.00           O  
HETATM    4  C   UNL     1       7.043   0.322   0.091  1.00  0.00           C  
HETATM    5  C   UNL     1       7.215   1.438  -0.707  1.00  0.00           C  
HETATM    6  C   UNL     1       7.921   2.527  -0.229  1.00  0.00           C  
HETATM    7  C   UNL     1       8.453   2.500   1.046  1.00  0.00           C  
HETATM    8  C   UNL     1       8.281   1.385   1.844  1.00  0.00           C  
HETATM    9  C   UNL     1       7.572   0.298   1.368  1.00  0.00           C  
HETATM   10  N   UNL     1       4.554  -0.832  -0.120  1.00  0.00           N  
HETATM   11  C   UNL     1       3.808   0.283  -0.708  1.00  0.00           C  
HETATM   12  C   UNL     1       2.367   0.076  -0.497  1.00  0.00           C  
HETATM   13  C   UNL     1       1.217  -0.090  -0.328  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.186  -0.292  -0.123  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.104   0.647  -0.599  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.452   0.452  -0.402  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.636  -1.432   0.549  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.984  -1.626   0.747  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.902  -0.684   0.275  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.349  -0.893   0.487  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.741  -1.884   1.072  1.00  0.00           O  
HETATM   22  N   UNL     1      -5.235   0.016   0.032  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.670  -0.191   0.243  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.448   0.977  -0.365  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.947   0.761  -0.146  1.00  0.00           C  
HETATM   26  F   UNL     1      -9.211   0.688   1.226  1.00  0.00           F  
HETATM   27  F   UNL     1      -9.658   1.829  -0.702  1.00  0.00           F  
HETATM   28  F   UNL     1      -9.341  -0.432  -0.761  1.00  0.00           F  
HETATM   29  H   UNL     1       6.799   1.459  -1.703  1.00  0.00           H  
HETATM   30  H   UNL     1       8.056   3.398  -0.853  1.00  0.00           H  
HETATM   31  H   UNL     1       9.005   3.351   1.418  1.00  0.00           H  
HETATM   32  H   UNL     1       8.697   1.364   2.840  1.00  0.00           H  
HETATM   33  H   UNL     1       7.433  -0.572   1.993  1.00  0.00           H  
HETATM   34  H   UNL     1       4.116  -1.434   0.502  1.00  0.00           H  
HETATM   35  H   UNL     1       4.115   1.216  -0.234  1.00  0.00           H  
HETATM   36  H   UNL     1       4.015   0.335  -1.777  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.756   1.525  -1.122  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.162   1.179  -0.769  1.00  0.00           H  
HETATM   39  H   UNL     1       0.073  -2.160   0.914  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.332  -2.507   1.266  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.922   0.807  -0.434  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.977  -1.121  -0.236  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.876  -0.248   1.312  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.141   1.907   0.114  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.242   1.034  -1.434  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    1    1                                       
CONECT    2    4   10                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    4    4    8   33                                       
CONECT   10    2   11   34                                            
CONECT   11   12   10   35   36                                       
CONECT   12   13   13   13   11                                       
CONECT   13   14   12   12   12                                       
CONECT   14   17   13   15   15                                       
CONECT   15   14   14   16   37                                       
CONECT   16   19   19   15   38                                       
CONECT   17   18   18   14   39                                       
CONECT   18   17   17   19   40                                       
CONECT   19   18   20   16   16                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   41                                            
CONECT   23   24   22   42   43                                       
CONECT   24   25   23   44   45                                       
CONECT   25   27   28   26   24                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
