COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.880   2.937  -0.284  1.00  0.00           C  
HETATM    2  N   UNL     1       7.602   2.303   0.047  1.00  0.00           N  
HETATM    3  C   UNL     1       7.115   1.318  -0.733  1.00  0.00           C  
HETATM    4  O   UNL     1       7.739   0.954  -1.711  1.00  0.00           O  
HETATM    5  C   UNL     1       5.827   0.680  -0.399  1.00  0.00           C  
HETATM    6  C   UNL     1       5.322  -0.343  -1.207  1.00  0.00           C  
HETATM    7  C   UNL     1       4.119  -0.936  -0.893  1.00  0.00           C  
HETATM    8  C   UNL     1       3.407  -0.519   0.226  1.00  0.00           C  
HETATM    9  C   UNL     1       3.906   0.499   1.034  1.00  0.00           C  
HETATM   10  F   UNL     1       3.211   0.902   2.120  1.00  0.00           F  
HETATM   11  C   UNL     1       5.113   1.093   0.729  1.00  0.00           C  
HETATM   12  N   UNL     1       2.187  -1.123   0.539  1.00  0.00           N  
HETATM   13  C   UNL     1       2.056  -2.235   1.353  1.00  0.00           C  
HETATM   14  C   UNL     1       0.802  -2.610   1.493  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.033  -1.643   0.680  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.757  -2.351  -0.379  1.00  0.00           N  
HETATM   17  S   UNL     1      -2.329  -2.814  -0.140  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.751  -3.437  -1.345  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.368  -3.462   1.124  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.287  -1.345   0.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.210  -1.048  -0.886  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.010   0.179  -0.749  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.972   0.582  -1.607  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.585   1.769  -1.268  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.135   2.338  -0.143  1.00  0.00           C  
HETATM   26 CL   UNL     1      -6.720   3.830   0.524  1.00  0.00          Cl  
HETATM   27  S   UNL     1      -4.867   1.343   0.561  1.00  0.00           S  
HETATM   28  C   UNL     1       0.991  -0.692   0.093  1.00  0.00           C  
HETATM   29  O   UNL     1       0.778   0.258  -0.631  1.00  0.00           O  
HETATM   30  H   UNL     1       9.108   3.705   0.454  1.00  0.00           H  
HETATM   31  H   UNL     1       9.670   2.185  -0.281  1.00  0.00           H  
HETATM   32  H   UNL     1       8.816   3.391  -1.273  1.00  0.00           H  
HETATM   33  H   UNL     1       7.104   2.594   0.828  1.00  0.00           H  
HETATM   34  H   UNL     1       5.874  -0.667  -2.076  1.00  0.00           H  
HETATM   35  H   UNL     1       3.729  -1.726  -1.518  1.00  0.00           H  
HETATM   36  H   UNL     1       5.503   1.880   1.358  1.00  0.00           H  
HETATM   37  H   UNL     1       2.889  -2.739   1.820  1.00  0.00           H  
HETATM   38  H   UNL     1       0.439  -3.445   2.075  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.729  -1.102   1.323  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.316  -2.548  -1.219  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.125  -0.685   0.863  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.372  -1.708  -1.726  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.239   0.020  -2.490  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.371   2.208  -1.865  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    1   33                                            
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   11   11    6                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   12                                       
CONECT    9   11   10    8    8                                       
CONECT   10    9                                                      
CONECT   11    5    5    9   36                                       
CONECT   12    8   13   28                                            
CONECT   13   12   14   14   37                                       
CONECT   14   13   13   15   38                                       
CONECT   15   28   14   16   39                                       
CONECT   16   15   17   40                                            
CONECT   17   16   19   19   20                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   41                                       
CONECT   21   20   20   22   42                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   27   26   24   24                                       
CONECT   26   25                                                      
CONECT   27   22   25                                                 
CONECT   28   12   29   29   15                                       
CONECT   29   28   28                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
