COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O   ALA A   1       6.620   1.904   0.203  1.00  0.00           O  
ATOM      2  C   ALA A   1       5.561   2.395   1.028  1.00  0.00           C  
ATOM      3  CA  ALA A   1       4.222   2.185   0.319  1.00  0.00           C  
ATOM      4  CB  ALA A   1       4.270   2.836  -1.065  1.00  0.00           C  
ATOM      5  N   ALA A   1       3.967   0.749   0.174  1.00  0.00           N  
HETATM    6  C   UNK A   0       2.667   0.285   0.057  1.00  0.00           C  
HETATM    7  N   UNK A   0       1.644   1.134   0.074  1.00  0.00           N  
HETATM    8  C   UNK A   0       2.412  -1.081  -0.088  1.00  0.00           C  
HETATM    9 BR   UNK A   0       3.830  -2.331  -0.126  1.00  0.00          Br  
HETATM   10  C   UNK A   0       1.099  -1.498  -0.201  1.00  0.00           C  
HETATM   11  N   UNK A   0       0.128  -0.597  -0.171  1.00  0.00           N  
HETATM   12  C   UNK A   0       0.400   0.693  -0.038  1.00  0.00           C  
HETATM   13  N   UNK A   0      -0.644   1.604  -0.016  1.00  0.00           N  
HETATM   14  C   UNK A   0      -1.967   1.152  -0.015  1.00  0.00           C  
HETATM   15  C   UNK A   0      -2.297  -0.034   0.628  1.00  0.00           C  
HETATM   16  C   UNK A   0      -3.605  -0.478   0.627  1.00  0.00           C  
HETATM   17  C   UNK A   0      -2.955   1.890  -0.653  1.00  0.00           C  
HETATM   18  C   UNK A   0      -4.261   1.441  -0.650  1.00  0.00           C  
HETATM   19  C   UNK A   0      -4.585   0.257  -0.014  1.00  0.00           C  
HETATM   20  S   UNK A   0      -6.252  -0.314  -0.014  1.00  0.00           S  
HETATM   21  O   UNK A   0      -6.880   0.280  -1.142  1.00  0.00           O  
HETATM   22  O   UNK A   0      -6.196  -1.718   0.195  1.00  0.00           O  
HETATM   23  N   UNK A   0      -6.990   0.328   1.323  1.00  0.00           N  
ATOM     24  H   ALA A   1       7.500   2.006   0.591  1.00  0.00           H  
ATOM     25  H1  ALA A   1       5.559   1.857   1.976  1.00  0.00           H  
ATOM     26  H2  ALA A   1       5.710   3.459   1.215  1.00  0.00           H  
ATOM     27  HA  ALA A   1       3.424   2.638   0.906  1.00  0.00           H  
ATOM     28  HB1 ALA A   1       5.068   2.383  -1.653  1.00  0.00           H  
ATOM     29  HB2 ALA A   1       3.316   2.686  -1.571  1.00  0.00           H  
ATOM     30  HB3 ALA A   1       4.460   3.904  -0.957  1.00  0.00           H  
ATOM     31  H   ALA A   1       4.708   0.124   0.160  1.00  0.00           H  
HETATM   32  H   UNK A   0       0.867  -2.546  -0.315  1.00  0.00           H  
HETATM   33  H   UNK A   0      -0.457   2.556  -0.001  1.00  0.00           H  
HETATM   34  H   UNK A   0      -1.531  -0.609   1.129  1.00  0.00           H  
HETATM   35  H   UNK A   0      -2.703   2.816  -1.150  1.00  0.00           H  
HETATM   36  H   UNK A   0      -3.862  -1.401   1.127  1.00  0.00           H  
HETATM   37  H   UNK A   0      -5.030   2.015  -1.146  1.00  0.00           H  
HETATM   38  H   UNK A   0      -6.490   0.902   1.924  1.00  0.00           H  
HETATM   39  H   UNK A   0      -7.922   0.130   1.504  1.00  0.00           H  
CONECT    1    2   24                                                 
CONECT    2    1    3   25   26                                       
CONECT    3    2    4    5   27                                       
CONECT    4    3   28   29   30                                       
CONECT    5    3    6   31                                            
CONECT    6    5    7    8    8                                       
CONECT    7    6   12   12                                            
CONECT    8    6    6    9   10                                       
CONECT    9    8                                                      
CONECT   10    8   11   11   32                                       
CONECT   11   10   10   12                                            
CONECT   12    7    7   11   13                                       
CONECT   13   12   14   33                                            
CONECT   14   13   15   17   17                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15   19   36                                       
CONECT   17   14   14   18   35                                       
CONECT   18   17   19   19   37                                       
CONECT   19   16   18   18   20                                       
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   38   39                                            
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
