COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.419   1.662   1.201  1.00  0.00           C  
HETATM    2  C   UNL     1       2.026  -0.033  -0.056  1.00  0.00           C  
HETATM    3  C   UNL     1       0.753  -0.562   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.017  -0.256   0.746  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.902   0.175  -0.425  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.722  -0.296  -0.071  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.356   0.273  -0.134  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.180   1.644  -0.327  1.00  0.00           C  
HETATM    9  C   UNL     1       1.089   2.176  -0.385  1.00  0.00           C  
HETATM   10  C   UNL     1       2.203   1.341  -0.250  1.00  0.00           C  
HETATM   11  C   UNL     1       3.561   1.908  -0.311  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.691   0.351   0.606  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.969  -1.346  -0.630  1.00  0.00           O  
HETATM   14  S   UNL     1      -6.544  -0.577  -0.251  1.00  0.00           S  
HETATM   15 BR   UNL     1       3.530  -1.163   0.135  1.00  0.00          Br  
HETATM   16  H   UNL     1      -2.566   2.439   0.451  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.099   1.830   2.036  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.390   1.692   1.559  1.00  0.00           H  
HETATM   19  H   UNL     1       0.615  -1.623   0.151  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.469   0.071   1.683  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.921  -1.342   0.749  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.998   1.261  -0.428  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.450  -0.152  -1.361  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.040   2.289  -0.432  1.00  0.00           H  
HETATM   25  H   UNL     1       1.224   3.237  -0.535  1.00  0.00           H  
HETATM   26  H   UNL     1       3.697   2.969  -0.461  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.202  -0.119  -1.331  1.00  0.00           H  
HETATM   28  O   UNL     1       4.526   1.184  -0.194  1.00  0.00           O  
CONECT    1   12   16   17   18                                       
CONECT    2    3   15   10   10                                       
CONECT    3    7    7    2   19                                       
CONECT    4   12    5   20   21                                       
CONECT    5    4   14   22   23                                       
CONECT    6   13   13   12    7                                       
CONECT    7    6    3    3    8                                       
CONECT    8    7    9    9   24                                       
CONECT    9    8    8   10   25                                       
CONECT   10    2    2    9   11                                       
CONECT   11   10   26   28   28                                       
CONECT   12    1    6    4                                            
CONECT   13    6    6                                                 
CONECT   14    5   27                                                 
CONECT   15    2                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   14                                                      
CONECT   28   11   11                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
