COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -4.927  -0.443   0.836  1.00  0.00           P  
HETATM    2 BR   UNL     1      -0.328  -1.748  -1.115  1.00  0.00          Br  
HETATM    3  N   UNL     1       5.523  -0.335   0.933  1.00  0.00           N  
HETATM    4  C   UNL     1       4.950   0.877   1.179  1.00  0.00           C  
HETATM    5  N   UNL     1       5.717   1.880   1.718  1.00  0.00           N  
HETATM    6  N   UNL     1       3.684   1.113   0.915  1.00  0.00           N  
HETATM    7  C   UNL     1       2.899   0.166   0.390  1.00  0.00           C  
HETATM    8  C   UNL     1       3.428  -1.100   0.115  1.00  0.00           C  
HETATM    9  C   UNL     1       4.792  -1.340   0.403  1.00  0.00           C  
HETATM   10  O   UNL     1       5.296  -2.427   0.175  1.00  0.00           O  
HETATM   11  N   UNL     1       2.426  -1.851  -0.404  1.00  0.00           N  
HETATM   12  C   UNL     1       1.338  -1.138  -0.462  1.00  0.00           C  
HETATM   13  N   UNL     1       1.582   0.116   0.018  1.00  0.00           N  
HETATM   14  C   UNL     1       0.612   1.210   0.117  1.00  0.00           C  
HETATM   15  C   UNL     1       0.333   1.820  -1.280  1.00  0.00           C  
HETATM   16  O   UNL     1       1.292   2.831  -1.595  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.076   2.434  -1.090  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.978   3.833  -0.815  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.655   1.682   0.123  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.678   0.709   0.530  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.955   0.979  -0.273  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.546   0.382   0.883  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.130   0.548   0.430  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.821  -1.526  -0.167  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.223  -1.079   2.285  1.00  0.00           O  
HETATM   26  H   UNL     1       6.461  -0.475   1.135  1.00  0.00           H  
HETATM   27  H   UNL     1       6.653   1.720   1.918  1.00  0.00           H  
HETATM   28  H   UNL     1       5.323   2.748   1.898  1.00  0.00           H  
HETATM   29  H   UNL     1       0.967   1.975   0.807  1.00  0.00           H  
HETATM   30  H   UNL     1       0.320   1.046  -2.047  1.00  0.00           H  
HETATM   31  H   UNL     1       1.159   3.243  -2.460  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.689   2.262  -1.974  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.567   4.346  -1.524  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.843   2.381   0.938  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.646   1.706  -0.699  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.740   0.206  -1.011  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.258   1.283   1.044  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.042  -1.592   2.330  1.00  0.00           H  
CONECT    1   24   24   23   25                                       
CONECT    1   22                                                      
CONECT    2   12                                                      
CONECT    3    4    9   26                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   27   28                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   13                                       
CONECT    8    7    7    9   11                                       
CONECT    9    3    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   12                                            
CONECT   12    2   11   11   13                                       
CONECT   13    7   12   14                                            
CONECT   14   13   20   15   29                                       
CONECT   15   14   17   16   30                                       
CONECT   16   15   31                                                 
CONECT   17   15   19   18   32                                       
CONECT   18   17   33                                                 
CONECT   19   17   21   20   34                                       
CONECT   20   14   19                                                 
CONECT   21   19   22   35   36                                       
CONECT   22    1   21                                                 
CONECT   23    1   37                                                 
CONECT   24    1    1                                                 
CONECT   25    1   38                                                 
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   23                                                      
CONECT   38   25                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
