COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -6.425  -1.519   0.727  1.00  0.00           P  
HETATM    2  O   UNL     1      -7.549  -0.754   0.143  1.00  0.00           O  
HETATM    3  O   UNL     1      -6.778  -1.917   2.247  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.182  -2.858  -0.135  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.092  -0.617   0.704  1.00  0.00           O  
HETATM    6  P   UNL     1      -4.452   0.406  -0.362  1.00  0.00           P  
HETATM    7  O   UNL     1      -4.625  -0.134  -1.729  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.194   1.831  -0.250  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.883   0.592  -0.052  1.00  0.00           O  
HETATM   10  P   UNL     1      -1.644   1.200  -0.881  1.00  0.00           P  
HETATM   11  B   UNL     1      -1.939   2.758  -1.230  1.00  0.00           B  
HETATM   12  O   UNL     1      -1.454   0.371  -2.248  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.303   1.093   0.003  1.00  0.00           O  
HETATM   14  C   UNL     1       0.892   1.812  -0.306  1.00  0.00           C  
HETATM   15  C   UNL     1       1.968   1.483   0.730  1.00  0.00           C  
HETATM   16  O   UNL     1       2.368   0.100   0.626  1.00  0.00           O  
HETATM   17  C   UNL     1       3.669  -0.008   1.227  1.00  0.00           C  
HETATM   18  N   UNL     1       4.463  -1.016   0.521  1.00  0.00           N  
HETATM   19  C   UNL     1       5.042  -2.037   1.224  1.00  0.00           C  
HETATM   20  C   UNL     1       4.611  -0.933  -0.814  1.00  0.00           C  
HETATM   21  O   UNL     1       4.083  -0.020  -1.419  1.00  0.00           O  
HETATM   22  N   UNL     1       5.335  -1.846  -1.488  1.00  0.00           N  
HETATM   23  C   UNL     1       5.926  -2.864  -0.831  1.00  0.00           C  
HETATM   24  O   UNL     1       6.581  -3.690  -1.441  1.00  0.00           O  
HETATM   25  C   UNL     1       5.774  -2.967   0.573  1.00  0.00           C  
HETATM   26  C   UNL     1       6.420  -4.098   1.330  1.00  0.00           C  
HETATM   27  C   UNL     1       4.346   1.371   1.105  1.00  0.00           C  
HETATM   28  C   UNL     1       3.274   2.260   0.428  1.00  0.00           C  
HETATM   29  N   UNL     1       3.242   3.594   1.034  1.00  0.00           N  
HETATM   30  N   UNL     1       4.077   4.320   0.840  1.00  0.00           N1+
HETATM   31  N   UNL     1       4.913   5.046   0.645  1.00  0.00           N1-
HETATM   32  H   UNL     1      -7.572  -2.462   2.336  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.458  -3.409   0.191  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.122   2.245   0.621  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.152   3.881  -1.482  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.274  -0.570  -2.115  1.00  0.00           H  
HETATM   37  H   UNL     1       1.243   1.525  -1.298  1.00  0.00           H  
HETATM   38  H   UNL     1       0.687   2.883  -0.289  1.00  0.00           H  
HETATM   39  H   UNL     1       1.611   1.705   1.736  1.00  0.00           H  
HETATM   40  H   UNL     1       3.571  -0.283   2.278  1.00  0.00           H  
HETATM   41  H   UNL     1       4.915  -2.099   2.295  1.00  0.00           H  
HETATM   42  H   UNL     1       5.431  -1.770  -2.450  1.00  0.00           H  
HETATM   43  H   UNL     1       5.732  -4.942   1.380  1.00  0.00           H  
HETATM   44  H   UNL     1       7.333  -4.403   0.818  1.00  0.00           H  
HETATM   45  H   UNL     1       6.663  -3.767   2.340  1.00  0.00           H  
HETATM   46  H   UNL     1       4.597   1.762   2.091  1.00  0.00           H  
HETATM   47  H   UNL     1       5.237   1.305   0.481  1.00  0.00           H  
HETATM   48  H   UNL     1       3.447   2.327  -0.647  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    5                                                      
CONECT    2    1    1                                                 
CONECT    3    1   32                                                 
CONECT    4    1   33                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   34                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   10   13                                                      
CONECT   11   10   10   35                                            
CONECT   12   10   36                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   37   38                                       
CONECT   15   14   16   28   39                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   27   40                                       
CONECT   18   17   19   20                                            
CONECT   19   18   25   25   41                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   42                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   19   19   23   26                                       
CONECT   26   25   43   44   45                                       
CONECT   27   17   28   46   47                                       
CONECT   28   15   27   29   48                                       
CONECT   29   28   30   30                                            
CONECT   30   29   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
