COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.757   2.172   0.001  1.00  0.00           C  
HETATM    2  O   UNL     1       8.033   3.139   0.001  1.00  0.00           O  
HETATM    3  C   UNL     1       8.165   0.786  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1       6.638   0.884  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       6.037  -0.523  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       4.510  -0.425  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       3.909  -1.832  -0.007  1.00  0.00           C  
HETATM    8  N   UNL     1       2.443  -1.738  -0.004  1.00  0.00           N  
HETATM    9  C   UNL     1       1.830  -3.073  -0.008  1.00  0.00           C  
HETATM   10  C   UNL     1       0.329  -2.936  -0.005  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.195  -1.749  -0.005  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.543  -1.560  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.281  -0.290  -0.002  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.778   0.957  -0.004  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.543   2.018  -0.004  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.928   1.906  -0.001  1.00  0.00           C  
HETATM   17 BR   UNL     1      -5.015   3.454   0.000  1.00  0.00          Br  
HETATM   18  C   UNL     1      -4.501   0.651   0.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.659  -0.473   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -4.057  -2.183   0.002  1.00  0.00           S  
HETATM   21  C   UNL     1      -2.369  -2.663   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.779  -3.959   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.477  -4.959   0.002  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.435  -4.059  -0.008  1.00  0.00           N  
HETATM   25  H   UNL     1       8.493   0.254  -0.896  1.00  0.00           H  
HETATM   26  H   UNL     1       8.496   0.247   0.883  1.00  0.00           H  
HETATM   27  H   UNL     1       6.310   1.417   0.892  1.00  0.00           H  
HETATM   28  H   UNL     1       6.307   1.424  -0.888  1.00  0.00           H  
HETATM   29  H   UNL     1       6.365  -1.055  -0.898  1.00  0.00           H  
HETATM   30  H   UNL     1       6.368  -1.062   0.882  1.00  0.00           H  
HETATM   31  H   UNL     1       4.182   0.108   0.890  1.00  0.00           H  
HETATM   32  H   UNL     1       4.179   0.115  -0.890  1.00  0.00           H  
HETATM   33  H   UNL     1       4.237  -2.364  -0.900  1.00  0.00           H  
HETATM   34  H   UNL     1       4.240  -2.371   0.880  1.00  0.00           H  
HETATM   35  H   UNL     1       2.117  -1.193   0.780  1.00  0.00           H  
HETATM   36  H   UNL     1       2.143  -3.614  -0.901  1.00  0.00           H  
HETATM   37  H   UNL     1       2.146  -3.621   0.879  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.091   2.999  -0.005  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.575   0.535   0.004  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.013  -4.932  -0.012  1.00  0.00           H  
HETATM   41  O   UNL     1      10.090   2.332  -0.001  1.00  0.00           O  
HETATM   42  H   UNL     1      10.423   3.240   0.002  1.00  0.00           H  
CONECT    1    2    2    3   41                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   25   26                                       
CONECT    4    3    5   27   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35                                            
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   11   24                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   21   21                                       
CONECT   13   14   12   19   19                                       
CONECT   14   15   15   13                                            
CONECT   15   14   14   16   38                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   39                                       
CONECT   19   13   13   18   20                                       
CONECT   20   19   21                                                 
CONECT   21   12   12   22   20                                       
CONECT   22   24   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   10   22   40                                            
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   24                                                      
CONECT   41    1   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
