COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -7.541   0.829  -0.204  1.00  0.00           F  
HETATM    2  C   UNL     1      -6.227   0.515  -0.229  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.748  -0.383  -1.165  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.401  -0.704  -1.190  1.00  0.00           C  
HETATM    5  F   UNL     1      -3.933  -1.581  -2.105  1.00  0.00           F  
HETATM    6  C   UNL     1      -5.357   1.098   0.680  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.823   1.980   1.592  1.00  0.00           F  
HETATM    8  C   UNL     1      -4.012   0.776   0.654  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.534  -0.126  -0.279  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.069  -0.475  -0.308  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.245   0.794  -0.557  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.662  -1.084   1.037  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.602  -2.155   1.395  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.247  -1.661   0.929  1.00  0.00           C  
HETATM   15  N   UNL     1       0.640  -0.642   0.360  1.00  0.00           N  
HETATM   16  C   UNL     1       0.212   0.471  -0.312  1.00  0.00           C  
HETATM   17  N   UNL     1       1.234   1.183  -0.693  1.00  0.00           N  
HETATM   18  C   UNL     1       2.004  -0.602   0.386  1.00  0.00           C  
HETATM   19  C   UNL     1       2.966  -1.451   0.920  1.00  0.00           C  
HETATM   20  C   UNL     1       4.291  -1.082   0.752  1.00  0.00           C  
HETATM   21  C   UNL     1       2.373   0.583  -0.299  1.00  0.00           C  
HETATM   22  C   UNL     1       3.719   0.930  -0.453  1.00  0.00           C  
HETATM   23  C   UNL     1       4.650   0.076   0.083  1.00  0.00           C  
HETATM   24  S   UNL     1       6.360   0.466  -0.084  1.00  0.00           S  
HETATM   25  O   UNL     1       6.386   1.881  -0.213  1.00  0.00           O  
HETATM   26  O   UNL     1       6.977  -0.180   1.022  1.00  0.00           O  
HETATM   27  C   UNL     1       6.855  -0.324  -1.639  1.00  0.00           C  
HETATM   28  H   UNL     1      -6.424  -0.835  -1.877  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.334   1.230   1.362  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.881  -1.194  -1.105  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.379   1.122  -1.588  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.567   1.581   0.124  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.681  -0.312   1.806  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.355  -2.573   2.279  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.551  -1.812   1.409  1.00  0.00           H  
HETATM   36  H   UNL     1       0.109  -1.943   1.920  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.259  -2.538   0.281  1.00  0.00           H  
HETATM   38  H   UNL     1       2.694  -2.356   1.443  1.00  0.00           H  
HETATM   39  H   UNL     1       5.066  -1.717   1.154  1.00  0.00           H  
HETATM   40  H   UNL     1       4.014   1.831  -0.973  1.00  0.00           H  
HETATM   41  H   UNL     1       6.263   0.083  -2.459  1.00  0.00           H  
HETATM   42  H   UNL     1       7.912  -0.132  -1.824  1.00  0.00           H  
HETATM   43  H   UNL     1       6.688  -1.399  -1.570  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    9    9                                       
CONECT    5    4                                                      
CONECT    6    2    8    8    7                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   29                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   12   11   30                                       
CONECT   11   10   16   31   32                                       
CONECT   12   10   14   13   33                                       
CONECT   13   12   34   35                                            
CONECT   14   12   15   36   37                                       
CONECT   15   14   18   16                                            
CONECT   16   11   15   17   17                                       
CONECT   17   16   16   21                                            
CONECT   18   15   19   19   21                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19   23   23   39                                       
CONECT   21   17   18   22   22                                       
CONECT   22   21   21   23   40                                       
CONECT   23   20   20   22   24                                       
CONECT   24   23   26   26   25                                       
CONECT   24   25   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   41   42   43                                       
CONECT   28    3                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
