COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.356   0.331  -0.081  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.009   1.168  -1.099  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.958   2.033  -1.307  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.972   1.808  -0.438  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.221   2.406  -0.199  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.644   3.487  -0.953  1.00  0.00           N  
HETATM    7  N   UNL     1      -6.987   1.909   0.767  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.592   0.878   1.491  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.431   0.286   1.303  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.598   0.713   0.360  1.00  0.00           C  
HETATM   11  C   UNL     1       8.213   2.678   1.438  1.00  0.00           C  
HETATM   12  C   UNL     1       7.392   1.775   0.516  1.00  0.00           C  
HETATM   13  O   UNL     1       7.241   2.405  -0.757  1.00  0.00           O  
HETATM   14  C   UNL     1       6.013   1.534   1.133  1.00  0.00           C  
HETATM   15  C   UNL     1       5.250   0.547   0.288  1.00  0.00           C  
HETATM   16  O   UNL     1       5.757   0.084  -0.706  1.00  0.00           O  
HETATM   17  O   UNL     1       4.006   0.183   0.639  1.00  0.00           O  
HETATM   18  P   UNL     1       3.258  -0.875  -0.315  1.00  0.00           P  
HETATM   19  O   UNL     1       4.037  -2.283  -0.271  1.00  0.00           O  
HETATM   20  O   UNL     1       3.243  -0.363  -1.704  1.00  0.00           O  
HETATM   21  O   UNL     1       1.745  -1.082   0.196  1.00  0.00           O  
HETATM   22  C   UNL     1       0.790  -1.883  -0.504  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.541  -1.865   0.251  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.153  -0.560   0.160  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.551  -2.823  -0.418  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.590  -4.072   0.274  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.905  -2.090  -0.289  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.822  -2.865   0.487  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.553  -0.776   0.444  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.082   1.120  -1.652  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.076   3.840  -1.655  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.509   3.891  -0.779  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.246   0.506   2.266  1.00  0.00           H  
HETATM   34  H   UNL     1       8.328   2.198   2.410  1.00  0.00           H  
HETATM   35  H   UNL     1       9.196   2.850   0.999  1.00  0.00           H  
HETATM   36  H   UNL     1       7.700   3.632   1.563  1.00  0.00           H  
HETATM   37  H   UNL     1       7.906   0.821   0.391  1.00  0.00           H  
HETATM   38  H   UNL     1       6.791   3.260  -0.722  1.00  0.00           H  
HETATM   39  H   UNL     1       6.130   1.135   2.141  1.00  0.00           H  
HETATM   40  H   UNL     1       5.465   2.476   1.176  1.00  0.00           H  
HETATM   41  H   UNL     1       4.085  -2.678   0.611  1.00  0.00           H  
HETATM   42  H   UNL     1       0.644  -1.481  -1.507  1.00  0.00           H  
HETATM   43  H   UNL     1       1.155  -2.907  -0.572  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.388  -2.142   1.294  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.298  -2.974  -1.467  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.209  -4.712  -0.104  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.321  -1.878  -1.274  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.032  -3.727   0.103  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.710  -0.885   1.516  1.00  0.00           H  
CONECT    1   29    2   10                                            
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4                                            
CONECT    4    3   10   10    5                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   31   32                                            
CONECT    7    5    5    8                                            
CONECT    8    9    9    7   33                                       
CONECT    9   10    8    8                                            
CONECT   10    1    4    4    9                                       
CONECT   11   12   34   35   36                                       
CONECT   12   11   14   13   37                                       
CONECT   13   12   38                                                 
CONECT   14   15   12   39   40                                       
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15                                                 
CONECT   18   20   20   19   17                                       
CONECT   18   21                                                      
CONECT   19   18   41                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   42   43                                       
CONECT   23   22   25   24   44                                       
CONECT   24   23   29                                                 
CONECT   25   23   26   27   45                                       
CONECT   26   25   46                                                 
CONECT   27   25   28   29   47                                       
CONECT   28   27   48                                                 
CONECT   29   24   27    1   49                                       
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
