COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -5.101  -0.837   0.335  1.00  0.00           P  
HETATM    2  N   UNL     1       5.580  -0.468   0.342  1.00  0.00           N  
HETATM    3  C   UNL     1       4.966   0.586   0.950  1.00  0.00           C  
HETATM    4  N   UNL     1       5.724   1.471   1.676  1.00  0.00           N  
HETATM    5  N   UNL     1       3.669   0.780   0.862  1.00  0.00           N  
HETATM    6  C   UNL     1       2.891  -0.056   0.165  1.00  0.00           C  
HETATM    7  C   UNL     1       3.462  -1.158  -0.483  1.00  0.00           C  
HETATM    8  C   UNL     1       4.859  -1.354  -0.380  1.00  0.00           C  
HETATM    9  O   UNL     1       5.399  -2.300  -0.928  1.00  0.00           O  
HETATM   10  N   UNL     1       2.458  -1.825  -1.103  1.00  0.00           N  
HETATM   11  C   UNL     1       1.332  -1.213  -0.879  1.00  0.00           C  
HETATM   12  N   UNL     1       1.549  -0.114  -0.100  1.00  0.00           N  
HETATM   13  B   UNL     1      -6.488   0.417   0.136  1.00  0.00           B1-
HETATM   14  C   UNL     1       0.533   0.832   0.368  1.00  0.00           C  
HETATM   15  C   UNL     1       0.458   2.037  -0.590  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.011   2.041  -1.080  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.525   3.373  -1.139  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.724   1.221   0.024  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.760   0.202   0.363  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.008   0.589  -0.518  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.704  -0.063   0.545  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.019  -1.680  -0.879  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.397  -1.766   1.615  1.00  0.00           O  
HETATM   24  H   UNL     1       6.540  -0.579   0.423  1.00  0.00           H  
HETATM   25  H   UNL     1       0.369  -1.528  -1.254  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.265   1.115  -0.827  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.537  -0.165  -0.023  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.554   1.106   1.128  1.00  0.00           H  
HETATM   29  H   UNL     1       0.778   1.172   1.374  1.00  0.00           H  
HETATM   30  H   UNL     1       0.685   2.961  -0.059  1.00  0.00           H  
HETATM   31  H   UNL     1       1.140   1.900  -1.429  1.00  0.00           H  
HETATM   32  H   UNL     1       6.682   1.341   1.750  1.00  0.00           H  
HETATM   33  H   UNL     1       5.301   2.226   2.114  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.099   1.549  -2.049  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.940   1.848   0.889  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.642   1.365  -0.947  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.756  -0.140  -1.288  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.050   3.951  -1.752  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.464  -1.279   2.448  1.00  0.00           H  
CONECT    1   13   21   22   22                                       
CONECT    1   23                                                      
CONECT    2    3    8   24                                            
CONECT    3    2    4    5    5                                       
CONECT    4    3   32   33                                            
CONECT    5    3    3    6                                            
CONECT    6    5    7    7   12                                       
CONECT    7    6    6    8   10                                       
CONECT    8    2    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    7   11   11                                            
CONECT   11   10   10   12   25                                       
CONECT   12    6   11   14                                            
CONECT   13    1   26   27   28                                       
CONECT   14   12   15   19   29                                       
CONECT   15   14   16   30   31                                       
CONECT   16   15   17   18   34                                       
CONECT   17   16   38                                                 
CONECT   18   16   19   20   35                                       
CONECT   19   14   18                                                 
CONECT   20   18   21   36   37                                       
CONECT   21    1   20                                                 
CONECT   22    1    1                                                 
CONECT   23    1   39                                                 
CONECT   24    2                                                      
CONECT   25   11                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   17                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
