COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.026   2.116  -0.809  1.00  0.00           C  
HETATM    2  C   UNL     1       4.692   0.157   1.390  1.00  0.00           C  
HETATM    3  N   UNL     1       8.464   2.390   0.452  1.00  0.00           N  
HETATM    4  N   UNL     1       8.771   2.541  -1.881  1.00  0.00           N  
HETATM    5  N   UNL     1       6.913   1.452  -1.029  1.00  0.00           N  
HETATM    6  C   UNL     1       6.157   1.014  -0.016  1.00  0.00           C  
HETATM    7  C   UNL     1       6.554   1.263   1.303  1.00  0.00           C  
HETATM    8  C   UNL     1       7.754   1.979   1.525  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.561   2.569  -0.152  1.00  0.00           O  
HETATM   10  P   UNL     1      -7.406   2.491  -1.074  1.00  0.00           P  
HETATM   11  O   UNL     1      -7.820   1.649  -2.383  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.964   3.977  -1.509  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.176   1.761  -0.334  1.00  0.00           O  
HETATM   14  P   UNL     1      -6.045   0.444   0.583  1.00  0.00           P  
HETATM   15  O   UNL     1      -6.813  -0.663  -0.031  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.629   0.752   2.052  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.496   0.022   0.699  1.00  0.00           O  
HETATM   18  P   UNL     1      -3.734  -1.342   1.087  1.00  0.00           P  
HETATM   19  O   UNL     1      -3.822  -1.572   2.678  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.373  -2.480   0.388  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.190  -1.239   0.644  1.00  0.00           O  
HETATM   22  P   UNL     1      -1.031  -2.322   0.366  1.00  0.00           P  
HETATM   23  O   UNL     1      -1.576  -3.427  -0.454  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.496  -2.907   1.767  1.00  0.00           O  
HETATM   25  O   UNL     1       0.184  -1.618  -0.421  1.00  0.00           O  
HETATM   26  C   UNL     1       1.319  -2.339  -0.905  1.00  0.00           C  
HETATM   27  C   UNL     1       2.279  -1.371  -1.601  1.00  0.00           C  
HETATM   28  O   UNL     1       2.833  -0.457  -0.640  1.00  0.00           O  
HETATM   29  C   UNL     1       3.454  -2.153  -2.220  1.00  0.00           C  
HETATM   30  O   UNL     1       3.497  -1.954  -3.634  1.00  0.00           O  
HETATM   31  C   UNL     1       4.709  -1.546  -1.548  1.00  0.00           C  
HETATM   32  O   UNL     1       5.766  -1.382  -2.496  1.00  0.00           O  
HETATM   33  C   UNL     1       4.184  -0.171  -1.061  1.00  0.00           C  
HETATM   34  N   UNL     1       4.983   0.316   0.066  1.00  0.00           N  
HETATM   35  N   UNL     1       5.617   0.715   2.115  1.00  0.00           N1+
HETATM   36  C   UNL     1       5.643   0.746   3.579  1.00  0.00           C  
HETATM   37  O   UNL     1       8.138   2.218   2.658  1.00  0.00           O  
HETATM   38  H   UNL     1       3.824  -0.354   1.778  1.00  0.00           H  
HETATM   39  H   UNL     1       9.290   2.883   0.580  1.00  0.00           H  
HETATM   40  H   UNL     1       8.474   2.350  -2.784  1.00  0.00           H  
HETATM   41  H   UNL     1       9.595   3.032  -1.734  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.110   1.557  -3.032  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.657   4.476  -1.962  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.172   1.468   2.514  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.422  -0.863   3.200  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.125  -2.237   2.357  1.00  0.00           H  
HETATM   47  H   UNL     1       1.829  -2.817  -0.069  1.00  0.00           H  
HETATM   48  H   UNL     1       0.992  -3.099  -1.614  1.00  0.00           H  
HETATM   49  H   UNL     1       1.749  -0.818  -2.377  1.00  0.00           H  
HETATM   50  H   UNL     1       3.371  -3.215  -1.985  1.00  0.00           H  
HETATM   51  H   UNL     1       4.251  -2.376  -4.068  1.00  0.00           H  
HETATM   52  H   UNL     1       5.035  -2.159  -0.707  1.00  0.00           H  
HETATM   53  H   UNL     1       6.067  -2.209  -2.896  1.00  0.00           H  
HETATM   54  H   UNL     1       4.188   0.552  -1.876  1.00  0.00           H  
HETATM   55  H   UNL     1       5.124   1.637   3.933  1.00  0.00           H  
HETATM   56  H   UNL     1       5.147  -0.142   3.970  1.00  0.00           H  
HETATM   57  H   UNL     1       6.677   0.767   3.924  1.00  0.00           H  
CONECT    1    4    3    5    5                                       
CONECT    2   35   35   34   38                                       
CONECT    3    1    8   39                                            
CONECT    4    1   40   41                                            
CONECT    5    1    1    6                                            
CONECT    6    5    7    7   34                                       
CONECT    7    8    6    6   35                                       
CONECT    8    3   37   37    7                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   12   11                                       
CONECT   10   13                                                      
CONECT   11   10   42                                                 
CONECT   12   10   43                                                 
CONECT   13   10   14                                                 
CONECT   14   15   15   13   16                                       
CONECT   14   17                                                      
CONECT   15   14   14                                                 
CONECT   16   14   44                                                 
CONECT   17   14   18                                                 
CONECT   18   17   21   20   20                                       
CONECT   18   19                                                      
CONECT   19   18   45                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   25   23   23   21                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22   46                                                 
CONECT   25   26   22                                                 
CONECT   26   25   27   47   48                                       
CONECT   27   29   26   28   49                                       
CONECT   28   27   33                                                 
CONECT   29   30   31   27   50                                       
CONECT   30   29   51                                                 
CONECT   31   29   32   33   52                                       
CONECT   32   31   53                                                 
CONECT   33   31   34   28   54                                       
CONECT   34    6   33    2                                            
CONECT   35    7   36    2    2                                       
CONECT   36   35   55   56   57                                       
CONECT   37    8    8                                                 
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   36                                                      
CONECT   56   36                                                      
CONECT   57   36                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
