COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.820 478.249  50.910  1.00  0.00           C  
HETATM    2  O   UNL     1       1.000 475.935  45.615  1.00  0.00           O  
HETATM    3  O   UNL     1       1.582 484.649  48.261  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.068 476.935  45.354  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.625 485.226  48.320  1.00  0.00           O  
HETATM    6  O   UNL     1      -0.017 485.384  49.406  1.00  0.00           O  
HETATM    7  C   UNL     1       7.160 476.695  49.643  1.00  0.00           C  
HETATM    8  C   UNL     1       0.023 481.901  48.480  1.00  0.00           C  
HETATM    9  C   UNL     1       0.030 480.752  49.419  1.00  0.00           C  
HETATM   10  C   UNL     1       1.582 476.089  49.020  1.00  0.00           C  
HETATM   11  C   UNL     1       0.664 478.320  49.432  1.00  0.00           C  
HETATM   12  C   UNL     1       0.226 479.408  48.783  1.00  0.00           C  
HETATM   13  N   UNL     1       3.451 476.750  46.722  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.281 485.865  46.263  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.712 483.595  46.632  1.00  0.00           O  
HETATM   16  O   UNL     1       0.001 483.096  49.175  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.570 484.614  47.246  1.00  0.00           O  
HETATM   18  S   UNL     1      -0.102 479.070  47.125  1.00  0.00           S  
HETATM   19  C   UNL     1       0.286 477.407  47.354  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.100 476.352  46.329  1.00  0.00           C  
HETATM   21  N   UNL     1       0.890 477.233  48.615  1.00  0.00           N1+
HETATM   22  P   UNL     1      -2.084 484.828  47.116  1.00  0.00           P  
HETATM   23  P   UNL     1       0.265 484.405  48.488  1.00  0.00           P  
HETATM   24  N   UNL     1       4.970 476.257  50.496  1.00  0.00           N  
HETATM   25  C   UNL     1       5.693 476.539  49.481  1.00  0.00           C  
HETATM   26  N   UNL     1       5.175 476.704  48.207  1.00  0.00           N  
HETATM   27  C   UNL     1       3.940 476.577  47.999  1.00  0.00           C  
HETATM   28  C   UNL     1       3.058 476.248  49.159  1.00  0.00           C  
HETATM   29  C   UNL     1       3.606 476.102  50.353  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.747 475.251  46.917  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.239 473.927  46.675  1.00  0.00           O  
HETATM   32  H   UNL     1       0.589 479.230  51.351  1.00  0.00           H  
HETATM   33  H   UNL     1       0.131 477.493  51.315  1.00  0.00           H  
HETATM   34  H   UNL     1       1.855 477.971  51.156  1.00  0.00           H  
HETATM   35  H   UNL     1       1.639 475.557  46.208  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.965 477.281  45.889  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.599 477.785  44.836  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.353 476.169  44.618  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.984 486.101  48.233  1.00  0.00           H  
HETATM   40  H   UNL     1       0.767 485.893  49.578  1.00  0.00           H  
HETATM   41  H   UNL     1       7.614 476.929  48.669  1.00  0.00           H  
HETATM   42  H   UNL     1       7.366 477.513  50.349  1.00  0.00           H  
HETATM   43  H   UNL     1       7.587 475.759  50.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.869 481.839  47.839  1.00  0.00           H  
HETATM   45  H   UNL     1       0.927 481.863  47.855  1.00  0.00           H  
HETATM   46  H   UNL     1       0.844 480.908  50.142  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.934 480.740  49.949  1.00  0.00           H  
HETATM   48  H   UNL     1       1.181 475.778  49.996  1.00  0.00           H  
HETATM   49  H   UNL     1       1.395 475.299  48.278  1.00  0.00           H  
HETATM   50  H   UNL     1       4.205 476.967  46.102  1.00  0.00           H  
HETATM   51  H   UNL     1       3.003 475.908  46.420  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.142 483.763  45.802  1.00  0.00           H  
HETATM   53  H   UNL     1       2.992 475.864  51.209  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.776 473.292  47.135  1.00  0.00           H  
CONECT    1   11   32   33   34                                       
CONECT    2   20   35                                                 
CONECT    3   23   23                                                 
CONECT    4   20   36   37   38                                       
CONECT    5   22   39                                                 
CONECT    6   23   40                                                 
CONECT    7   25   41   42   43                                       
CONECT    8   16    9   44   45                                       
CONECT    9    8   12   46   47                                       
CONECT   10   21   28   48   49                                       
CONECT   11   21   12   12    1                                       
CONECT   12   18    9   11   11                                       
CONECT   13   27   50   51                                            
CONECT   14   22   22                                                 
CONECT   15   22   52                                                 
CONECT   16    8   23                                                 
CONECT   17   22   23                                                 
CONECT   18   19   12                                                 
CONECT   19   20   18   21   21                                       
CONECT   20    4    2   30   19                                       
CONECT   21   19   19   10   11                                       
CONECT   22   14   14   15   17                                       
CONECT   22    5                                                      
CONECT   23   17    3    3   16                                       
CONECT   23    6                                                      
CONECT   24   25   25   29                                            
CONECT   25   26    7   24   24                                       
CONECT   26   27   27   25                                            
CONECT   27   13   26   26   28                                       
CONECT   28   27   10   29   29                                       
CONECT   29   28   28   24   53                                       
CONECT   30   20   31                                                 
CONECT   31   30   54                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
