COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.951   5.009   1.208  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.022   4.076   0.706  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.920   3.338   0.282  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.027  -1.160  -0.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.216  -1.393  -1.637  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.579  -2.651  -2.078  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.755  -3.680  -1.171  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.567  -3.453   0.182  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.202  -2.193   0.628  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.830   2.814   0.076  1.00  0.00           C  
HETATM   11  C   UNL     1       0.958   0.291   0.106  1.00  0.00           C  
HETATM   12  C   UNL     1       1.838   0.849  -0.804  1.00  0.00           C  
HETATM   13  C   UNL     1       3.137   0.153  -1.117  1.00  0.00           C  
HETATM   14  C   UNL     1       4.486  -1.741   2.060  1.00  0.00           C  
HETATM   15  C   UNL     1       1.529   2.044  -1.429  1.00  0.00           C  
HETATM   16  C   UNL     1       0.340   2.686  -1.146  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.308   4.260   0.767  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.101   2.383  -0.179  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.501   1.090  -0.842  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.664   0.076   0.151  1.00  0.00           O  
HETATM   21  F   UNL     1      -4.739  -4.459   1.066  1.00  0.00           F  
HETATM   22  F   UNL     1      -4.013  -1.972   1.947  1.00  0.00           F  
HETATM   23  C   UNL     1      -0.549   2.128  -0.231  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.234   0.924   0.395  1.00  0.00           C  
HETATM   25  N   UNL     1       4.176   0.621  -0.195  1.00  0.00           N  
HETATM   26  S   UNL     1       5.596  -0.218  -0.054  1.00  0.00           S  
HETATM   27  O   UNL     1       6.036  -0.390  -1.394  1.00  0.00           O  
HETATM   28  O   UNL     1       6.359   0.538   0.876  1.00  0.00           O  
HETATM   29  C   UNL     1       5.112  -1.811   0.666  1.00  0.00           C  
HETATM   30  C   UNL     1       4.595  -2.890  -0.287  1.00  0.00           C  
HETATM   31  C   UNL     1       5.983  -3.027   0.343  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.716   4.768   2.245  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.055   4.895   0.598  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.305   6.037   1.145  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.080  -0.590  -2.347  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.727  -2.831  -3.132  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.040  -4.662  -1.519  1.00  0.00           H  
HETATM   38  H   UNL     1       1.202  -0.645   0.587  1.00  0.00           H  
HETATM   39  H   UNL     1       3.009  -0.924  -1.003  1.00  0.00           H  
HETATM   40  H   UNL     1       3.433   0.377  -2.141  1.00  0.00           H  
HETATM   41  H   UNL     1       3.612  -1.089   2.034  1.00  0.00           H  
HETATM   42  H   UNL     1       4.184  -2.741   2.374  1.00  0.00           H  
HETATM   43  H   UNL     1       5.214  -1.344   2.767  1.00  0.00           H  
HETATM   44  H   UNL     1       2.219   2.476  -2.138  1.00  0.00           H  
HETATM   45  H   UNL     1       0.100   3.619  -1.634  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.441   1.232  -1.375  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.726   0.788  -1.546  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.922   0.486   1.102  1.00  0.00           H  
HETATM   49  H   UNL     1       4.031   1.422   0.332  1.00  0.00           H  
HETATM   50  H   UNL     1       3.809  -3.550   0.078  1.00  0.00           H  
HETATM   51  H   UNL     1       4.546  -2.642  -1.348  1.00  0.00           H  
HETATM   52  H   UNL     1       6.847  -2.869  -0.303  1.00  0.00           H  
HETATM   53  H   UNL     1       6.110  -3.777   1.124  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2   10    1   17   17                                       
CONECT    3   18   17                                                 
CONECT    4    5    5    9   20                                       
CONECT    5    6    4    4   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7    6    6    8   37                                       
CONECT    8    7   21    9    9                                       
CONECT    9    8    8    4   22                                       
CONECT   10   23   18   18    2                                       
CONECT   11   12   24   24   38                                       
CONECT   12   13   15   15   11                                       
CONECT   13   25   12   39   40                                       
CONECT   14   29   41   42   43                                       
CONECT   15   12   12   16   44                                       
CONECT   16   15   23   23   45                                       
CONECT   17    2    2    3                                            
CONECT   18   19   10   10    3                                       
CONECT   19   20   18   46   47                                       
CONECT   20    4   19                                                 
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23   16   16   24   10                                       
CONECT   24   11   11   23   48                                       
CONECT   25   26   13   49                                            
CONECT   26   28   28   27   27                                       
CONECT   26   29   25                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   14   31   30                                       
CONECT   30   29   31   50   51                                       
CONECT   31   29   30   52   53                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
