COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.361  -2.889  -2.512  1.00  0.00           O  
HETATM    2  P   UNL     1       3.500  -2.840  -0.909  1.00  0.00           P  
HETATM    3  O   UNL     1       3.173  -4.293  -0.298  1.00  0.00           O  
HETATM    4  O   UNL     1       4.880  -2.450  -0.545  1.00  0.00           O  
HETATM    5  O   UNL     1       2.463  -1.762  -0.313  1.00  0.00           O  
HETATM    6  C   UNL     1       2.555  -0.362  -0.583  1.00  0.00           C  
HETATM    7  C   UNL     1       1.255   0.148  -1.254  1.00  0.00           C  
HETATM    8  C   UNL     1       2.639   0.437   0.734  1.00  0.00           C  
HETATM    9  C   UNL     1       3.826   1.388   0.906  1.00  0.00           C  
HETATM   10  O   UNL     1       5.027   0.728   0.501  1.00  0.00           O  
HETATM   11  P   UNL     1       6.473   1.434   0.549  1.00  0.00           P  
HETATM   12  O   UNL     1       6.869   1.745   2.078  1.00  0.00           O  
HETATM   13  O   UNL     1       7.571   0.451  -0.100  1.00  0.00           O  
HETATM   14  O   UNL     1       6.431   2.700  -0.217  1.00  0.00           O  
HETATM   15  C   UNL     1       1.932  -0.126   1.968  1.00  0.00           C  
HETATM   16  C   UNL     1       1.205   0.879   1.073  1.00  0.00           C  
HETATM   17  C   UNL     1       0.299   0.333  -0.050  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.754   1.298  -0.374  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.570   2.570  -0.829  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.721   3.146  -1.020  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.715   2.282  -0.700  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.106   1.087  -0.282  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.873   0.066   0.086  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.186   0.171   0.067  1.00  0.00           C  
HETATM   25  I   UNL     1      -5.339  -1.474   0.660  1.00  0.00           I  
HETATM   26  N   UNL     1      -4.803   1.276  -0.313  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.119   2.346  -0.705  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.774   3.497  -1.106  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.238   3.545  -1.105  1.00  0.00           C  
HETATM   30  H   UNL     1       2.480  -3.138  -2.824  1.00  0.00           H  
HETATM   31  H   UNL     1       3.760  -4.994  -0.614  1.00  0.00           H  
HETATM   32  H   UNL     1       3.418  -0.152  -1.215  1.00  0.00           H  
HETATM   33  H   UNL     1       1.428   1.098  -1.759  1.00  0.00           H  
HETATM   34  H   UNL     1       0.864  -0.593  -1.951  1.00  0.00           H  
HETATM   35  H   UNL     1       3.673   2.275   0.292  1.00  0.00           H  
HETATM   36  H   UNL     1       3.908   1.680   1.953  1.00  0.00           H  
HETATM   37  H   UNL     1       6.916   0.959   2.640  1.00  0.00           H  
HETATM   38  H   UNL     1       8.469   0.812  -0.105  1.00  0.00           H  
HETATM   39  H   UNL     1       1.603  -1.165   1.929  1.00  0.00           H  
HETATM   40  H   UNL     1       2.270   0.222   2.944  1.00  0.00           H  
HETATM   41  H   UNL     1       0.994   1.878   1.454  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.136  -0.623   0.242  1.00  0.00           H  
HETATM   43  H   UNL     1       0.391   3.032  -1.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.263   4.272  -1.388  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.627   2.775  -1.771  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.606   3.372  -0.094  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.570   4.525  -1.449  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    4    4    3    5                                       
CONECT    2    1                                                      
CONECT    3    2   31                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2                                                 
CONECT    6    8    5    7   32                                       
CONECT    7    6   17   33   34                                       
CONECT    8    9    6   16   15                                       
CONECT    9   10    8   35   36                                       
CONECT   10   11    9                                                 
CONECT   11   14   14   12   13                                       
CONECT   11   10                                                      
CONECT   12   11   37                                                 
CONECT   13   11   38                                                 
CONECT   14   11   11                                                 
CONECT   15    8   16   39   40                                       
CONECT   16    8   15   17   41                                       
CONECT   17   16   18    7   42                                       
CONECT   18   19   22   17                                            
CONECT   19   20   20   18   43                                       
CONECT   20   19   19   21                                            
CONECT   21   20   27   27   22                                       
CONECT   22   21   18   23   23                                       
CONECT   23   22   22   24                                            
CONECT   24   26   26   23   25                                       
CONECT   25   24                                                      
CONECT   26   27   24   24                                            
CONECT   27   28   21   21   26                                       
CONECT   28   29   27   44                                            
CONECT   29   28   45   46   47                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
