COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.743  -0.956   1.509  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.520  -0.518   1.160  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.963   0.935   0.373  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.674  -0.020   1.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.215  -1.199   1.485  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.450  -3.442   0.569  1.00  0.00           C  
HETATM    7  N   UNL     1       0.068  -2.221   0.475  1.00  0.00           N  
HETATM    8  S   UNL     1       0.562  -3.295  -1.842  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.086  -4.415  -0.536  1.00  0.00           C  
HETATM   10  C   UNL     1       0.929  -1.932  -0.673  1.00  0.00           C  
HETATM   11  C   UNL     1       0.567  -0.596  -1.310  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.659   0.627   0.472  1.00  0.00           O  
HETATM   13  C   UNL     1       0.846   0.535  -0.314  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.170  -3.762   1.491  1.00  0.00           O  
HETATM   15  C   UNL     1       2.692  -0.850   0.722  1.00  0.00           C  
HETATM   16  C   UNL     1       2.400  -1.974  -0.280  1.00  0.00           C  
HETATM   17  C   UNL     1       3.079   1.470   0.049  1.00  0.00           C  
HETATM   18  C   UNL     1       4.502   1.341   0.528  1.00  0.00           C  
HETATM   19  O   UNL     1       2.691   2.517  -0.426  1.00  0.00           O  
HETATM   20  N   UNL     1       2.236   0.423   0.149  1.00  0.00           N  
HETATM   21 BR   UNL     1      -3.678   2.451  -0.503  1.00  0.00          Br  
HETATM   22  H   UNL     1      -2.971  -1.853   2.066  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.748  -0.062   1.101  1.00  0.00           H  
HETATM   24  H   UNL     1       0.587  -0.461   1.490  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.285  -1.667   2.467  1.00  0.00           H  
HETATM   26  H   UNL     1       0.685  -5.109  -0.203  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.968  -4.951  -0.887  1.00  0.00           H  
HETATM   28  H   UNL     1       1.166  -0.447  -2.208  1.00  0.00           H  
HETATM   29  H   UNL     1       0.701   1.498  -0.805  1.00  0.00           H  
HETATM   30  H   UNL     1       0.170   0.450   0.536  1.00  0.00           H  
HETATM   31  H   UNL     1       2.159  -1.044   1.653  1.00  0.00           H  
HETATM   32  H   UNL     1       3.764  -0.802   0.915  1.00  0.00           H  
HETATM   33  H   UNL     1       2.627  -2.937   0.177  1.00  0.00           H  
HETATM   34  H   UNL     1       3.018  -1.838  -1.168  1.00  0.00           H  
HETATM   35  H   UNL     1       4.507   1.099   1.591  1.00  0.00           H  
HETATM   36  H   UNL     1       5.001   0.547  -0.028  1.00  0.00           H  
HETATM   37 CL   UNL     1       5.369   2.899   0.262  1.00  0.00          Cl  
HETATM   38  H   UNL     1      -0.491  -0.595  -1.574  1.00  0.00           H  
CONECT    1    2    2    4   22                                       
CONECT    2    1    1    5   12                                       
CONECT    3    4    4   12   21                                       
CONECT    4    1    3    3   23                                       
CONECT    5    2    7   24   25                                       
CONECT    6    7    9   14   14                                       
CONECT    7    5    6   10                                            
CONECT    8    9   10                                                 
CONECT    9    6    8   26   27                                       
CONECT   10    7    8   11   16                                       
CONECT   11   10   13   28   38                                       
CONECT   12    2    3                                                 
CONECT   13   11   20   29   30                                       
CONECT   14    6    6                                                 
CONECT   15   16   20   31   32                                       
CONECT   16   10   15   33   34                                       
CONECT   17   18   19   19   20                                       
CONECT   18   17   35   36   37                                       
CONECT   19   17   17                                                 
CONECT   20   13   15   17                                            
CONECT   21    3                                                      
CONECT   22    1                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   11                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
