COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.495   2.926  -0.112  1.00  0.00           N  
HETATM    2  O   UNL     1       3.515   3.904  -0.024  1.00  0.00           O  
HETATM    3  C   UNL     1       2.822   1.567  -0.058  1.00  0.00           C  
HETATM    4  C   UNL     1       1.837   0.604  -0.143  1.00  0.00           C  
HETATM    5  S   UNL     1       0.113   0.986  -0.316  1.00  0.00           S  
HETATM    6  C   UNL     1       4.145   1.163   0.075  1.00  0.00           C  
HETATM    7  C   UNL     1       4.456  -0.187   0.126  1.00  0.00           C  
HETATM    8  C   UNL     1       5.896  -0.608   0.271  1.00  0.00           C  
HETATM    9  F   UNL     1       6.266  -1.389  -0.828  1.00  0.00           F  
HETATM   10  F   UNL     1       6.710   0.528   0.331  1.00  0.00           F  
HETATM   11  F   UNL     1       6.048  -1.353   1.445  1.00  0.00           F  
HETATM   12  C   UNL     1       3.477  -1.151   0.048  1.00  0.00           C  
HETATM   13  C   UNL     1       2.137  -0.774  -0.098  1.00  0.00           C  
HETATM   14  C   UNL     1       1.063  -1.761  -0.186  1.00  0.00           C  
HETATM   15  O   UNL     1       1.423  -2.925  -0.122  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.231  -1.586  -0.323  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.885  -0.432  -0.397  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.244  -0.366  -0.540  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.048  -1.593  -0.619  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.153  -1.528   0.441  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.926   0.933  -0.612  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.032   0.969   0.449  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.951  -0.235   0.261  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.009  -0.188   1.225  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.521  -0.198  -1.058  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.808   0.443  -0.886  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.250  -0.104   0.494  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.215   0.868   1.177  1.00  0.00           C  
HETATM   29  H   UNL     1       1.568   3.198  -0.205  1.00  0.00           H  
HETATM   30  H   UNL     1       3.192   4.814  -0.066  1.00  0.00           H  
HETATM   31  H   UNL     1       4.931   1.901   0.139  1.00  0.00           H  
HETATM   32  H   UNL     1       3.742  -2.197   0.090  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.497  -1.673  -1.610  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.413  -2.459  -0.433  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.817  -2.385   0.327  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.705  -1.544   1.434  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.211   1.733  -0.421  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.365   1.062  -1.601  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.584   0.935   1.442  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.610   1.887   0.341  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.703   1.528  -0.861  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.503   0.138  -1.668  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.703  -1.089   0.391  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.753   1.853   1.242  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.134   0.936   0.595  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.445   0.508   2.179  1.00  0.00           H  
CONECT    1    2    3   29                                            
CONECT    2    1   30                                                 
CONECT    3    4    4    6    1                                       
CONECT    4   13    5    3    3                                       
CONECT    5   17    4                                                 
CONECT    6    7    7    3   31                                       
CONECT    7   12    8    6    6                                       
CONECT    8   11    7   10    9                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12   13   13    7   32                                       
CONECT   13   14   12   12    4                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   17                                            
CONECT   17   16   16   18    5                                       
CONECT   18   21   17   19                                            
CONECT   19   18   20   33   34                                       
CONECT   20   19   23   35   36                                       
CONECT   21   18   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   24   22   20   25                                       
CONECT   24   27   23                                                 
CONECT   25   26   23                                                 
CONECT   26   27   25   41   42                                       
CONECT   27   28   24   26   43                                       
CONECT   28   27   44   45   46                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32   12                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
