COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.732  -3.775   0.018  1.00  0.00           F  
HETATM    2  C   UNL     1       4.138  -2.561   0.026  1.00  0.00           C  
HETATM    3  C   UNL     1       3.078  -2.317   0.884  1.00  0.00           C  
HETATM    4  C   UNL     1       4.595  -1.563  -0.819  1.00  0.00           C  
HETATM    5  C   UNL     1       3.992  -0.322  -0.813  1.00  0.00           C  
HETATM    6  C   UNL     1       2.921  -0.074   0.043  1.00  0.00           C  
HETATM    7  C   UNL     1       2.468  -1.080   0.895  1.00  0.00           C  
HETATM    8  C   UNL     1       2.269   1.259   0.053  1.00  0.00           C  
HETATM    9  C   UNL     1       0.880   1.378  -0.041  1.00  0.00           C  
HETATM   10  N   UNL     1       0.337   2.582  -0.029  1.00  0.00           N  
HETATM   11  C   UNL     1       1.092   3.667   0.071  1.00  0.00           C  
HETATM   12  N   UNL     1       0.484   4.910   0.080  1.00  0.00           N  
HETATM   13  N   UNL     1       2.412   3.595   0.163  1.00  0.00           N  
HETATM   14  C   UNL     1       3.028   2.427   0.163  1.00  0.00           C  
HETATM   15  C   UNL     1       0.014   0.150  -0.156  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.036   0.025   0.963  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.971  -0.395  -0.098  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.175   0.318  -1.120  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.355  -1.303  -0.133  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.478  -1.797  -1.459  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.311  -2.146   1.010  1.00  0.00           O  
HETATM   22  N   UNL     1      -4.627  -0.267   0.100  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.274   0.368  -1.051  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.104   0.014   1.456  1.00  0.00           C  
HETATM   25  H   UNL     1       2.727  -3.097   1.543  1.00  0.00           H  
HETATM   26  H   UNL     1       5.425  -1.756  -1.482  1.00  0.00           H  
HETATM   27  H   UNL     1       4.349   0.456  -1.472  1.00  0.00           H  
HETATM   28  H   UNL     1       1.641  -0.890   1.564  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.481   4.979   0.013  1.00  0.00           H  
HETATM   30  H   UNL     1       1.023   5.713   0.152  1.00  0.00           H  
HETATM   31  H   UNL     1       4.104   2.375   0.243  1.00  0.00           H  
HETATM   32  H   UNL     1       0.589  -0.761  -0.323  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.814  -0.758   1.688  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.296   0.975   1.429  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.477   1.355  -1.267  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.066  -0.232  -2.055  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.090  -0.264  -1.403  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.669   1.340  -0.754  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.545   0.500  -1.850  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.567   0.872   1.860  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.171   0.233   1.428  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.928  -0.855   2.091  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    4    4                                       
CONECT    3    7    7    2   25                                       
CONECT    4    2    2    5   26                                       
CONECT    5    6    6    4   27                                       
CONECT    6    7    8    5    5                                       
CONECT    7    3    3    6   28                                       
CONECT    8    9    6   14   14                                       
CONECT    9   15   10   10    8                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   13   13                                       
CONECT   12   11   29   30                                            
CONECT   13   11   11   14                                            
CONECT   14    8    8   13   31                                       
CONECT   15   18   16    9   32                                       
CONECT   16   17   15   33   34                                       
CONECT   17   19   18   16                                            
CONECT   18   17   15   35   36                                       
CONECT   19   21   21   20   20                                       
CONECT   19   22   17                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   24   19   23                                            
CONECT   23   22   37   38   39                                       
CONECT   24   22   40   41   42                                       
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
