COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.102  -0.465  -0.854  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.685  -1.560  -0.229  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.351  -2.930  -0.759  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.705  -4.004   0.267  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.152  -3.779   0.722  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.200  -2.505   1.562  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.538  -1.365   0.834  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.812  -0.074   1.268  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.233   1.013   0.646  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.369   0.816  -0.416  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.621   2.197  -1.215  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.275   1.765  -2.523  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.466   3.312  -0.962  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.195   2.504  -0.431  1.00  0.00           N  
HETATM   15  C   UNL     1       0.794   1.530  -0.383  1.00  0.00           C  
HETATM   16  C   UNL     1       0.997   0.686  -1.468  1.00  0.00           C  
HETATM   17  C   UNL     1       1.980  -0.281  -1.418  1.00  0.00           C  
HETATM   18  C   UNL     1       2.773  -0.419  -0.289  1.00  0.00           C  
HETATM   19 BR   UNL     1       4.115  -1.749  -0.239  1.00  0.00          Br  
HETATM   20  C   UNL     1       2.587   0.410   0.798  1.00  0.00           C  
HETATM   21  C   UNL     1       1.599   1.397   0.760  1.00  0.00           C  
HETATM   22  C   UNL     1       1.395   2.286   1.917  1.00  0.00           C  
HETATM   23  O   UNL     1       2.163   2.149   3.016  1.00  0.00           O  
HETATM   24  O   UNL     1       0.535   3.144   1.880  1.00  0.00           O  
HETATM   25  H   UNL     1      -1.431  -0.617  -1.686  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.914  -3.108  -1.676  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.284  -2.980  -0.978  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.612  -4.991  -0.188  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.035  -3.930   1.123  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.798  -3.669  -0.149  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.484  -4.627   1.320  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.240  -2.247   1.764  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.682  -2.677   2.506  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.483   0.080   2.099  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.451   2.013   0.989  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.050   3.363  -0.006  1.00  0.00           H  
HETATM   37  H   UNL     1       0.383   0.787  -2.351  1.00  0.00           H  
HETATM   38  H   UNL     1       2.133  -0.934  -2.264  1.00  0.00           H  
HETATM   39  H   UNL     1       3.207   0.298   1.675  1.00  0.00           H  
HETATM   40  H   UNL     1       1.993   2.755   3.749  1.00  0.00           H  
CONECT    1   10   10    2   25                                       
CONECT    2    7    7    1    3                                       
CONECT    3    2    4   26   27                                       
CONECT    4    5    3   28   29                                       
CONECT    5    6    4   30   31                                       
CONECT    6    7    5   32   33                                       
CONECT    7    8    6    2    2                                       
CONECT    8    9    9    7   34                                       
CONECT    9    8    8   10   35                                       
CONECT   10    9   11    1    1                                       
CONECT   11   13   13   14   10                                       
CONECT   11   12   12                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   15   11   36                                            
CONECT   15   16   16   21   14                                       
CONECT   16   17   15   15   37                                       
CONECT   17   18   18   16   38                                       
CONECT   18   19   17   17   20                                       
CONECT   19   18                                                      
CONECT   20   18   21   21   39                                       
CONECT   21   20   20   15   22                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   40                                                 
CONECT   24   22   22                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
