COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.311   0.165  -0.636  1.00  0.00           C  
HETATM    2  C   UNL     1       0.603  -0.807  -0.895  1.00  0.00           C  
HETATM    3  C   UNL     1       1.654   0.981  -0.229  1.00  0.00           C  
HETATM    4  C   UNL     1       3.985   1.378   0.223  1.00  0.00           C  
HETATM    5  C   UNL     1       4.247   0.018   0.135  1.00  0.00           C  
HETATM    6  C   UNL     1       5.547  -0.441   0.234  1.00  0.00           C  
HETATM    7  N   UNL     1       0.377   1.266  -0.223  1.00  0.00           N  
HETATM    8  N   UNL     1       2.671   1.846   0.129  1.00  0.00           N  
HETATM    9  N   UNL     1      -4.722  -0.150   0.450  1.00  0.00           N  
HETATM   10  O   UNL     1       1.817  -0.287  -0.638  1.00  0.00           O  
HETATM   11  C   UNL     1       6.585   0.453   0.421  1.00  0.00           C  
HETATM   12  C   UNL     1       6.326   1.809   0.509  1.00  0.00           C  
HETATM   13  C   UNL     1       5.030   2.274   0.411  1.00  0.00           C  
HETATM   14  C   UNL     1       5.833  -1.918   0.139  1.00  0.00           C  
HETATM   15  C   UNL     1       4.750   3.752   0.507  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.121   0.264   1.837  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.573   0.064   1.939  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.309  -1.358   0.300  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.160  -2.019  -0.488  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.749   2.220  -0.236  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.563   1.102  -0.487  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.773   0.051  -0.782  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.266  -0.992  -1.168  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.803  -1.537   0.095  1.00  0.00           C  
HETATM   25  F   UNL     1       6.967  -2.223   0.899  1.00  0.00           F  
HETATM   26  F   UNL     1       4.737  -2.638   0.626  1.00  0.00           F  
HETATM   27  F   UNL     1       6.060  -2.263  -1.198  1.00  0.00           F  
HETATM   28  O   UNL     1      -4.439   0.414  -1.936  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.990  -1.268   1.657  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.206   0.974  -0.651  1.00  0.00           S  
HETATM   31  H   UNL     1       0.394  -1.808  -1.242  1.00  0.00           H  
HETATM   32  H   UNL     1       3.437  -0.681  -0.011  1.00  0.00           H  
HETATM   33  H   UNL     1       2.472   2.777   0.315  1.00  0.00           H  
HETATM   34  H   UNL     1       7.600   0.091   0.498  1.00  0.00           H  
HETATM   35  H   UNL     1       7.140   2.504   0.655  1.00  0.00           H  
HETATM   36  H   UNL     1       4.574   4.021   1.548  1.00  0.00           H  
HETATM   37  H   UNL     1       5.606   4.309   0.127  1.00  0.00           H  
HETATM   38  H   UNL     1       3.867   3.993  -0.086  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.607  -0.354   2.573  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.877   1.315   1.997  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.889   0.321   2.950  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.067   0.739   1.240  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.484  -0.356  -0.092  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.215  -1.953   0.183  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.230  -3.103  -0.396  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.226  -1.735  -1.538  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.170   1.934  -0.180  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.025  -1.745  -0.640  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.587  -2.128   0.985  1.00  0.00           H  
CONECT    1   22    2    2    7                                       
CONECT    2    1    1   10   31                                       
CONECT    3   10    7    7    8                                       
CONECT    4    8    5    5   13                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5   11   11   14                                       
CONECT    7    1    3    3                                            
CONECT    8    3    4   33                                            
CONECT    9   30   16   24                                            
CONECT   10    2    3                                                 
CONECT   11    6    6   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13    4   12   12   15                                       
CONECT   14    6   25   26   27                                       
CONECT   15   13   36   37   38                                       
CONECT   16    9   17   39   40                                       
CONECT   17   16   29   41   42                                       
CONECT   18   29   19   43   44                                       
CONECT   19   18   24   45   46                                       
CONECT   20   30   30                                                 
CONECT   21   22   30   47                                            
CONECT   22   21    1   23   23                                       
CONECT   23   22   22                                                 
CONECT   24    9   19   48   49                                       
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   30   30                                                 
CONECT   29   17   18                                                 
CONECT   30   21    9   20   20                                       
CONECT   30   28   28                                                 
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
