COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.505  -1.788  -0.699  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.084  -2.761   0.187  1.00  0.00           C  
HETATM    3  C   UNL     1       1.264  -2.931   0.439  1.00  0.00           C  
HETATM    4  C   UNL     1       2.193  -2.126  -0.197  1.00  0.00           C  
HETATM    5  C   UNL     1       1.771  -1.152  -1.084  1.00  0.00           C  
HETATM    6  C   UNL     1       0.422  -0.983  -1.335  1.00  0.00           C  
HETATM    7  C   UNL     1       2.647   4.088  -1.433  1.00  0.00           C  
HETATM    8  C   UNL     1       1.181   2.454  -0.518  1.00  0.00           C  
HETATM    9  C   UNL     1       0.143   3.100  -1.174  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.147   2.617  -1.066  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.404   1.492  -0.306  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.813   0.968  -0.190  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.334  -0.875   1.374  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.434   0.131   1.812  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.372   0.846   0.350  1.00  0.00           C  
HETATM   16  C   UNL     1       0.920   1.324   0.245  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.800  -0.479   0.072  1.00  0.00           N  
HETATM   18  O   UNL     1       2.452   2.924  -0.627  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.318  -0.957  -2.300  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.846  -2.817  -0.716  1.00  0.00           O  
HETATM   21  S   UNL     1      -2.224  -1.577  -1.025  1.00  0.00           S  
HETATM   22  S   UNL     1      -3.651   1.707   1.266  1.00  0.00           S  
HETATM   23 BR   UNL     1       2.332   0.441   1.141  1.00  0.00          Br  
HETATM   24 CL   UNL     1       3.886  -2.338   0.119  1.00  0.00          Cl  
HETATM   25  H   UNL     1      -0.809  -3.389   0.684  1.00  0.00           H  
HETATM   26  H   UNL     1       1.593  -3.691   1.132  1.00  0.00           H  
HETATM   27  H   UNL     1       2.495  -0.524  -1.581  1.00  0.00           H  
HETATM   28  H   UNL     1       0.092  -0.223  -2.027  1.00  0.00           H  
HETATM   29  H   UNL     1       2.322   3.881  -2.453  1.00  0.00           H  
HETATM   30  H   UNL     1       2.063   4.913  -1.026  1.00  0.00           H  
HETATM   31  H   UNL     1       3.703   4.356  -1.435  1.00  0.00           H  
HETATM   32  H   UNL     1       0.344   3.979  -1.768  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.955   3.119  -1.577  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.372   1.185  -1.100  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.530  -0.879   2.110  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.764  -1.874   1.300  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.371  -0.050   1.285  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.580   0.113   2.892  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.576  -0.033   0.944  1.00  0.00           H  
CONECT    1   21    2    2    6                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5   24                                       
CONECT    5    6    6    4   27                                       
CONECT    6    1    5    5   28                                       
CONECT    7   18   29   30   31                                       
CONECT    8   18    9    9   16                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   15   12                                       
CONECT   12   11   22   17   34                                       
CONECT   13   14   17   35   36                                       
CONECT   14   22   13   37   38                                       
CONECT   15   16   16   11   39                                       
CONECT   16   23    8   15   15                                       
CONECT   17   12   21   13                                            
CONECT   18    7    8                                                 
CONECT   19   21   21                                                 
CONECT   20   21   21                                                 
CONECT   21   20   20   19   19                                       
CONECT   21   17    1                                                 
CONECT   22   12   14                                                 
CONECT   23   16                                                      
CONECT   24    4                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
