COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.092   0.914  -0.715  1.00  0.00           O  
HETATM    2  C   UNL     1       4.825   0.486  -0.888  1.00  0.00           C  
HETATM    3  O   UNL     1       4.473   0.045  -1.966  1.00  0.00           O  
HETATM    4  C   UNL     1       3.872   0.551   0.222  1.00  0.00           C  
HETATM    5  S   UNL     1       4.254   1.042   1.867  1.00  0.00           S  
HETATM    6  C   UNL     1       2.638   0.809   2.361  1.00  0.00           C  
HETATM    7  C   UNL     1       1.880   0.390   1.340  1.00  0.00           C  
HETATM    8  C   UNL     1       2.542   0.246   0.144  1.00  0.00           C  
HETATM    9  C   UNL     1       1.870  -0.215  -1.123  1.00  0.00           C  
HETATM   10  N   UNL     1       0.438  -0.401  -0.877  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.411   0.630  -1.047  1.00  0.00           C  
HETATM   12  O   UNL     1       0.021   1.709  -1.403  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.026  -1.606  -0.487  1.00  0.00           C  
HETATM   14  O   UNL     1       0.741  -2.540  -0.338  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.412  -1.774  -0.253  1.00  0.00           C  
HETATM   16 BR   UNL     1      -2.094  -3.451   0.296  1.00  0.00          Br  
HETATM   17  C   UNL     1      -2.241  -0.722  -0.425  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.730   0.483  -0.828  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.629   1.625  -1.015  1.00  0.00           C  
HETATM   20  CA  UNL     1      -2.748   2.401   0.298  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.175   1.490   1.368  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.765   3.502   0.140  1.00  0.00           C  
HETATM   23  OXT UNL     1      -3.424   4.649  -0.468  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.887   3.352   0.561  1.00  0.00           O  
HETATM   25  H   UNL     1       6.685   0.851  -1.477  1.00  0.00           H  
HETATM   26  H   UNL     1       2.275   0.978   3.364  1.00  0.00           H  
HETATM   27  H   UNL     1       0.826   0.185   1.448  1.00  0.00           H  
HETATM   28  H   UNL     1       2.010   0.535  -1.902  1.00  0.00           H  
HETATM   29  H   UNL     1       2.309  -1.159  -1.445  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.301  -0.832  -0.252  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.227   2.280  -1.789  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.613   1.268  -1.317  1.00  0.00           H  
HETATM   33  HA  UNL     1      -1.781   2.834   0.553  1.00  0.00           H  
HETATM   34  H1  UNL     1      -4.069   1.076   1.155  1.00  0.00           H  
HETATM   35  H2  UNL     1      -2.478   0.780   1.537  1.00  0.00           H  
HETATM   36  HXT UNL     1      -4.110   5.326  -0.545  1.00  0.00           H  
CONECT    1    2   25                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    8    8    2                                       
CONECT    5    6    4                                                 
CONECT    6    5    7    7   26                                       
CONECT    7    6    6    8   27                                       
CONECT    8    7    4    4    9                                       
CONECT    9    8   10   28   29                                       
CONECT   10   11   13    9                                            
CONECT   11   18   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   15   10   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   17   17   16   13                                       
CONECT   16   15                                                      
CONECT   17   18   15   15   30                                       
CONECT   18   19   17   11                                            
CONECT   19   18   20   31   32                                       
CONECT   20   19   22   21   33                                       
CONECT   21   20   34   35                                            
CONECT   22   24   24   20   23                                       
CONECT   23   22   36                                                 
CONECT   24   22   22                                                 
CONECT   25    1                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   17                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
