COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.534   0.191   0.108  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.411  -1.245  -0.284  1.00  0.00           C  
HETATM    3  CA  UNL     1      -2.305  -2.184  -0.203  1.00  0.00           C  
HETATM    4  C   UNL     1       4.390   0.283   0.856  1.00  0.00           C  
HETATM    5  C   UNL     1       3.827   0.483  -0.392  1.00  0.00           C  
HETATM    6  C   UNL     1       2.453   0.549  -0.528  1.00  0.00           C  
HETATM    7  C   UNL     1       1.641   0.416   0.583  1.00  0.00           C  
HETATM    8  C   UNL     1       0.143   0.487   0.434  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.717  -0.934   0.036  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.899   0.027  -0.055  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.460  -3.386  -0.283  1.00  0.00           C  
HETATM   12  C   UNL     1       2.203   0.216   1.830  1.00  0.00           C  
HETATM   13  C   UNL     1       3.576   0.144   1.966  1.00  0.00           C  
HETATM   14  N   UNL     1       4.696   0.626  -1.582  1.00  0.00           N1+
HETATM   15  N   UNL     1      -3.623  -2.292  -0.348  1.00  0.00           N  
HETATM   16  O   UNL     1       5.907   0.568  -1.462  1.00  0.00           O1-
HETATM   17  O   UNL     1       4.201   0.802  -2.681  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.375  -0.823   0.194  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.259  -3.293  -0.142  1.00  0.00           O  
HETATM   20 BR   UNL     1      -5.056   1.520   0.034  1.00  0.00          Br  
HETATM   21 CL   UNL     1       6.115   0.200   1.027  1.00  0.00          Cl  
HETATM   22  H   UNL     1      -2.114   1.169   0.291  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.477  -1.374  -0.407  1.00  0.00           H  
HETATM   24  H   UNL     1       2.014   0.705  -1.502  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.294   0.889   1.348  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.108   1.137  -0.405  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.909  -4.351  -0.467  1.00  0.00           H  
HETATM   28  H   UNL     1       1.568   0.112   2.698  1.00  0.00           H  
HETATM   29  H   UNL     1       4.015  -0.012   2.941  1.00  0.00           H  
CONECT    1   10   10    9   22                                       
CONECT    2   15   15   10   23                                       
CONECT    3   15   11    9    9                                       
CONECT    4   13   13    5   21                                       
CONECT    5    6    6    4   14                                       
CONECT    6    7    5    5   24                                       
CONECT    7    8   12   12    6                                       
CONECT    8   18    7   25   26                                       
CONECT    9    3    3    1   18                                       
CONECT   10    2   20    1    1                                       
CONECT   11   19   19    3   27                                       
CONECT   12    7    7   13   28                                       
CONECT   13   12    4    4   29                                       
CONECT   14    5   17   17   16                                       
CONECT   15    2    2    3                                            
CONECT   16   14                                                      
CONECT   17   14   14                                                 
CONECT   18    9    8                                                 
CONECT   19   11   11                                                 
CONECT   20   10                                                      
CONECT   21    4                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
