COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.953   1.215  -0.350  1.00  0.00           C  
HETATM    2  C   UNL     1       0.861   0.280  -1.296  1.00  0.00           C  
HETATM    3  C   UNL     1       1.854  -0.684  -1.263  1.00  0.00           C  
HETATM    4  C   UNL     1       2.754  -0.531  -0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.158   1.056   0.707  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.960  -0.184   1.300  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.826  -1.224   1.028  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.889  -1.033   0.164  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.089   0.201  -0.428  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.230   1.247  -0.155  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.283   2.111   0.980  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.816  -2.150  -0.126  1.00  0.00           N1+
HETATM   13  O   UNL     1       0.594   3.619   0.442  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.855   2.703  -1.377  1.00  0.00           O  
HETATM   15  O   UNL     1      -5.753  -1.982  -0.886  1.00  0.00           O1-
HETATM   16  O   UNL     1      -4.641  -3.237   0.395  1.00  0.00           O  
HETATM   17  S   UNL     1       2.359   0.897   0.659  1.00  0.00           S  
HETATM   18  S   UNL     1      -0.158   2.567  -0.146  1.00  0.00           S  
HETATM   19 BR   UNL     1       4.228  -1.673   0.023  1.00  0.00          Br  
HETATM   20  H   UNL     1       0.071   0.275  -2.032  1.00  0.00           H  
HETATM   21  H   UNL     1       1.898  -1.498  -1.972  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.129  -0.335   1.974  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.673  -2.189   1.488  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.923   0.348  -1.099  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.387   2.210  -0.619  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.335   2.576   1.830  1.00  0.00           H  
CONECT    1   18   17    2    2                                       
CONECT    2    1    1    3   20                                       
CONECT    3    2    4    4   21                                       
CONECT    4   17    3    3   19                                       
CONECT    5   10   11    6    6                                       
CONECT    6    5    5    7   22                                       
CONECT    7    8    8    6   23                                       
CONECT    8    9   12    7    7                                       
CONECT    9   10   10    8   24                                       
CONECT   10    9    9    5   25                                       
CONECT   11    5   18   26                                            
CONECT   12   15   16   16    8                                       
CONECT   13   18   18                                                 
CONECT   14   18   18                                                 
CONECT   15   12                                                      
CONECT   16   12   12                                                 
CONECT   17    1    4                                                 
CONECT   18   11   13   13   14                                       
CONECT   18   14    1                                                 
CONECT   19    4                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
