COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.899   2.213  -1.440  1.00  0.00           C  
HETATM    2  C   UNL     1       5.816   0.598   0.386  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.881   0.732  -1.134  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.460   1.127   0.124  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.754   0.248   0.926  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.468  -1.025   0.473  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.888  -1.423  -0.787  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.601  -0.542  -1.589  1.00  0.00           C  
HETATM    9  C   UNL     1       2.955  -1.507  -0.156  1.00  0.00           C  
HETATM   10  C   UNL     1       1.796  -1.415   0.533  1.00  0.00           C  
HETATM   11  C   UNL     1       2.728   0.533   0.616  1.00  0.00           C  
HETATM   12  C   UNL     1       4.646   1.339  -1.622  1.00  0.00           C  
HETATM   13  C   UNL     1       4.826   0.114  -0.702  1.00  0.00           C  
HETATM   14  C   UNL     1       6.797   1.490  -0.416  1.00  0.00           C  
HETATM   15  N   UNL     1       0.871  -2.453   0.736  1.00  0.00           N  
HETATM   16  N   UNL     1       3.547  -0.268  -0.098  1.00  0.00           N  
HETATM   17  N   UNL     1       1.685  -0.157   0.990  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.607  -2.676  -1.234  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.249  -1.431   2.684  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.294  -3.364   1.493  1.00  0.00           O  
HETATM   21  S   UNL     1      -0.568  -2.143   1.496  1.00  0.00           S  
HETATM   22 BR   UNL     1      -2.850   2.869   0.747  1.00  0.00          Br  
HETATM   23 CL   UNL     1      -3.129  -1.037  -3.167  1.00  0.00          Cl  
HETATM   24  H   UNL     1       6.423   2.316  -2.390  1.00  0.00           H  
HETATM   25  H   UNL     1       5.617   3.196  -1.062  1.00  0.00           H  
HETATM   26  H   UNL     1       5.298   1.182   1.147  1.00  0.00           H  
HETATM   27  H   UNL     1       6.340  -0.246   0.835  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.432   1.420  -1.758  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.426   0.559   1.907  1.00  0.00           H  
HETATM   30  H   UNL     1       3.344  -2.385  -0.651  1.00  0.00           H  
HETATM   31  H   UNL     1       2.908   1.574   0.841  1.00  0.00           H  
HETATM   32  H   UNL     1       3.756   1.897  -1.331  1.00  0.00           H  
HETATM   33  H   UNL     1       4.562   1.018  -2.660  1.00  0.00           H  
HETATM   34  H   UNL     1       5.249  -0.723  -1.258  1.00  0.00           H  
HETATM   35  H   UNL     1       7.540   0.877  -0.927  1.00  0.00           H  
HETATM   36  H   UNL     1       7.283   2.210   0.242  1.00  0.00           H  
HETATM   37  H   UNL     1       1.074  -3.351   0.431  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.318  -3.315  -1.087  1.00  0.00           H  
CONECT    1   14   12   24   25                                       
CONECT    2   13   14   26   27                                       
CONECT    3    8    8    4   28                                       
CONECT    4    3   22    5    5                                       
CONECT    5    4    4    6   29                                       
CONECT    6    7    7    5   21                                       
CONECT    7    8   18    6    6                                       
CONECT    8   23    3    3    7                                       
CONECT    9   16   10   10   30                                       
CONECT   10   17    9    9   15                                       
CONECT   11   17   17   16   31                                       
CONECT   12   13    1   32   33                                       
CONECT   13    2   16   12   34                                       
CONECT   14    2    1   35   36                                       
CONECT   15   10   21   37                                            
CONECT   16   11   13    9                                            
CONECT   17   11   11   10                                            
CONECT   18    7   38                                                 
CONECT   19   21   21                                                 
CONECT   20   21   21                                                 
CONECT   21   15    6   19   19                                       
CONECT   21   20   20                                                 
CONECT   22    4                                                      
CONECT   23    8                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
