COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -4.180  -0.171   0.258  1.00  0.00           P  
HETATM    2 BR   UNL     1       0.647   2.276   0.115  1.00  0.00          Br  
HETATM    3  N   UNL     1       5.623  -1.639   0.062  1.00  0.00           N  
HETATM    4  C   UNL     1       4.714  -2.531  -0.285  1.00  0.00           C  
HETATM    5  N   UNL     1       3.441  -2.226  -0.425  1.00  0.00           N  
HETATM    6  C   UNL     1       3.016  -0.984  -0.219  1.00  0.00           C  
HETATM    7  C   UNL     1       3.945   0.003   0.152  1.00  0.00           C  
HETATM    8  C   UNL     1       5.292  -0.372   0.289  1.00  0.00           C  
HETATM    9  N   UNL     1       6.252   0.556   0.653  1.00  0.00           N  
HETATM   10  N   UNL     1       3.260   1.163   0.297  1.00  0.00           N  
HETATM   11  C   UNL     1       1.999   0.956   0.044  1.00  0.00           C  
HETATM   12  N   UNL     1       1.798  -0.354  -0.279  1.00  0.00           N  
HETATM   13  C   UNL     1       0.518  -0.974  -0.627  1.00  0.00           C  
HETATM   14  S   UNL     1      -5.595  -1.384   0.291  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.339  -1.167   0.650  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.705  -2.539   0.808  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.525   1.102   1.181  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.578  -0.305   0.376  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.816  -0.891   0.790  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.598  -0.302  -1.176  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.228  -0.104  -1.514  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.576   0.756  -1.657  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.897   0.310  -1.267  1.00  0.00           O  
HETATM   24  H   UNL     1       5.026  -3.550  -0.461  1.00  0.00           H  
HETATM   25  H   UNL     1       7.179   0.285   0.745  1.00  0.00           H  
HETATM   26  H   UNL     1       5.998   1.478   0.817  1.00  0.00           H  
HETATM   27  H   UNL     1       0.690  -1.938  -1.107  1.00  0.00           H  
HETATM   28  H   UNL     1       0.196  -0.808   1.529  1.00  0.00           H  
HETATM   29  H   UNL     1       0.047  -3.137   0.912  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.316   1.585   0.905  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.461   0.698   0.788  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.926  -1.277  -1.538  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.352   1.713  -1.185  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.520   0.851  -2.741  1.00  0.00           H  
CONECT    1   14   14   17   19                                       
CONECT    1   23                                                      
CONECT    2   11                                                      
CONECT    3    4    4    8                                            
CONECT    4    3    3    5   24                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    7   12                                       
CONECT    7    6    8    8   10                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   25   26                                            
CONECT   10    7   11   11                                            
CONECT   11    2   10   10   12                                       
CONECT   12    6   11   13                                            
CONECT   13   12   15   21   27                                       
CONECT   14    1    1                                                 
CONECT   15   13   16   18   28                                       
CONECT   16   15   29                                                 
CONECT   17    1   30                                                 
CONECT   18   15   19   20   31                                       
CONECT   19    1   18                                                 
CONECT   20   18   21   22   32                                       
CONECT   21   13   20                                                 
CONECT   22   20   23   33   34                                       
CONECT   23    1   22                                                 
CONECT   24    4                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   13                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
CONECT   32   20                                                      
CONECT   33   22                                                      
CONECT   34   22                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
