COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.494   2.852  -2.127  1.00  0.00           O  
HETATM    2  N   UNL     1       6.439   2.908  -0.911  1.00  0.00           N1+
HETATM    3  O   UNL     1       7.025   3.794  -0.315  1.00  0.00           O1-
HETATM    4  C   UNL     1       5.655   1.903  -0.159  1.00  0.00           C  
HETATM    5  C   UNL     1       5.675   1.887   1.251  1.00  0.00           C  
HETATM    6  N   UNL     1       6.426   2.810   1.942  1.00  0.00           N  
HETATM    7  N   UNL     1       4.966   0.978   1.907  1.00  0.00           N  
HETATM    8  C   UNL     1       4.236   0.080   1.248  1.00  0.00           C  
HETATM    9  O   UNL     1       3.592  -0.745   1.874  1.00  0.00           O  
HETATM   10  C   UNL     1       4.903   0.987  -0.814  1.00  0.00           C  
HETATM   11  N   UNL     1       4.196   0.069  -0.097  1.00  0.00           N  
HETATM   12  C   UNL     1       3.383  -0.931  -0.793  1.00  0.00           C  
HETATM   13  O   UNL     1       2.024  -0.903  -0.305  1.00  0.00           O  
HETATM   14  C   UNL     1       3.888  -2.354  -0.471  1.00  0.00           C  
HETATM   15  O   UNL     1       4.730  -2.836  -1.521  1.00  0.00           O  
HETATM   16  C   UNL     1       2.598  -3.200  -0.381  1.00  0.00           C  
HETATM   17  O   UNL     1       2.604  -4.229  -1.371  1.00  0.00           O  
HETATM   18  C   UNL     1       1.466  -2.187  -0.659  1.00  0.00           C  
HETATM   19  C   UNL     1       0.248  -2.497   0.213  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.802  -1.576  -0.090  1.00  0.00           O  
HETATM   21  P   UNL     1      -2.236  -1.609   0.642  1.00  0.00           P  
HETATM   22  O   UNL     1      -2.049  -1.263   2.204  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.830  -2.957   0.503  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.210  -0.520  -0.036  1.00  0.00           O  
HETATM   25  P   UNL     1      -4.798  -0.262   0.004  1.00  0.00           P  
HETATM   26  O   UNL     1      -5.280  -0.368   1.400  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.543  -1.362  -0.905  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.117   1.210  -0.564  1.00  0.00           O  
HETATM   29  P   UNL     1      -6.368   2.214  -0.429  1.00  0.00           P  
HETATM   30  O   UNL     1      -7.630   1.444  -0.508  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.293   2.977   0.987  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.322   3.293  -1.623  1.00  0.00           O  
HETATM   33  H   UNL     1       6.880   3.522   1.464  1.00  0.00           H  
HETATM   34  H   UNL     1       6.501   2.750   2.907  1.00  0.00           H  
HETATM   35  H   UNL     1       4.868   0.981  -1.894  1.00  0.00           H  
HETATM   36  H   UNL     1       3.403  -0.753  -1.869  1.00  0.00           H  
HETATM   37  H   UNL     1       4.422  -2.364   0.480  1.00  0.00           H  
HETATM   38  H   UNL     1       5.076  -3.727  -1.370  1.00  0.00           H  
HETATM   39  H   UNL     1       2.493  -3.630   0.615  1.00  0.00           H  
HETATM   40  H   UNL     1       3.332  -4.859  -1.280  1.00  0.00           H  
HETATM   41  H   UNL     1       1.192  -2.204  -1.714  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.092  -3.513   0.015  1.00  0.00           H  
HETATM   43  H   UNL     1       0.520  -2.403   1.265  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.664  -0.392   2.370  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.276  -1.351  -1.835  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.491   3.503   1.108  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.048   3.931  -1.605  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2    5   10   10                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   33   34                                            
CONECT    7    5    5    8                                            
CONECT    8    7    9    9   11                                       
CONECT    9    8    8                                                 
CONECT   10    4    4   11   35                                       
CONECT   11    8   10   12                                            
CONECT   12   11   13   14   36                                       
CONECT   13   12   18                                                 
CONECT   14   12   15   16   37                                       
CONECT   15   14   38                                                 
CONECT   16   14   17   18   39                                       
CONECT   17   16   40                                                 
CONECT   18   13   16   19   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   23   23                                       
CONECT   21   24                                                      
CONECT   22   21   44                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   45                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   30   31                                       
CONECT   29   32                                                      
CONECT   30   29   29                                                 
CONECT   31   29   46                                                 
CONECT   32   29   47                                                 
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   27                                                      
CONECT   46   31                                                      
CONECT   47   32                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
