COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.080   1.777   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.262  -0.495   0.058  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.288   0.946  -0.242  1.00  0.00           C  
HETATM    4  C   UNL     1       3.096   1.057  -0.235  1.00  0.00           C  
HETATM    5  C   UNL     1       3.924  -1.257  -0.735  1.00  0.00           C  
HETATM    6  C   UNL     1       4.286  -0.327  -1.620  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.173  -0.848   0.744  1.00  0.00           C  
HETATM    8  C   UNL     1       3.828   0.950  -1.345  1.00  0.00           C  
HETATM    9  C   UNL     1       4.291  -2.717  -0.810  1.00  0.00           C  
HETATM   10  C   UNL     1       5.608  -2.950  -0.067  1.00  0.00           C  
HETATM   11  C   UNL     1       5.412  -2.658   1.422  1.00  0.00           C  
HETATM   12  C   UNL     1       6.044  -4.405  -0.247  1.00  0.00           C  
HETATM   13  N   UNL     1       0.874   2.679  -0.304  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.305   1.879  -0.552  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.131  -0.058   0.563  1.00  0.00           N  
HETATM   16  O   UNL     1       2.182   2.363   1.764  1.00  0.00           O  
HETATM   17  O   UNL     1       3.154   3.613  -0.170  1.00  0.00           O  
HETATM   18  O   UNL     1       0.165   0.869   0.771  1.00  0.00           O  
HETATM   19  S   UNL     1       2.381   2.550   0.370  1.00  0.00           S  
HETATM   20  S   UNL     1      -3.879   0.954  -0.868  1.00  0.00           S  
HETATM   21  S   UNL     1       2.949  -0.520   0.529  1.00  0.00           S  
HETATM   22 BR   UNL     1      -5.924  -1.398   0.070  1.00  0.00          Br  
HETATM   23  H   UNL     1       4.889  -0.554  -2.487  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.147  -1.710   1.394  1.00  0.00           H  
HETATM   25  H   UNL     1       4.047   1.795  -1.981  1.00  0.00           H  
HETATM   26  H   UNL     1       3.503  -3.313  -0.350  1.00  0.00           H  
HETATM   27  H   UNL     1       4.406  -3.010  -1.853  1.00  0.00           H  
HETATM   28  H   UNL     1       6.374  -2.288  -0.469  1.00  0.00           H  
HETATM   29  H   UNL     1       6.350  -2.824   1.952  1.00  0.00           H  
HETATM   30  H   UNL     1       5.101  -1.621   1.551  1.00  0.00           H  
HETATM   31  H   UNL     1       4.645  -3.319   1.825  1.00  0.00           H  
HETATM   32  H   UNL     1       6.184  -4.614  -1.308  1.00  0.00           H  
HETATM   33  H   UNL     1       6.983  -4.572   0.282  1.00  0.00           H  
HETATM   34  H   UNL     1       5.278  -5.067   0.155  1.00  0.00           H  
HETATM   35  H   UNL     1       0.678   3.404  -0.919  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.502   2.604  -1.166  1.00  0.00           H  
CONECT    1   14   13   18   18                                       
CONECT    2    7    7   20   22                                       
CONECT    3   15   15   14   20                                       
CONECT    4    8    8   19   21                                       
CONECT    5    6    6    9   21                                       
CONECT    6    8    5    5   23                                       
CONECT    7   15    2    2   24                                       
CONECT    8    6    4    4   25                                       
CONECT    9   10    5   26   27                                       
CONECT   10   11    9   12   28                                       
CONECT   11   10   29   30   31                                       
CONECT   12   10   32   33   34                                       
CONECT   13    1   19   35                                            
CONECT   14    3    1   36                                            
CONECT   15    7    3    3                                            
CONECT   16   19   19                                                 
CONECT   17   19   19                                                 
CONECT   18    1    1                                                 
CONECT   19   13   16   16    4                                       
CONECT   19   17   17                                                 
CONECT   20    3    2                                                 
CONECT   21    5    4                                                 
CONECT   22    2                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
