COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.650  -0.974   0.214  1.00  0.00           C  
HETATM    2  O   UNL     1       7.999  -1.886   0.925  1.00  0.00           O  
HETATM    3  CA  UNL     1       6.320  -1.036  -0.492  1.00  0.00           C  
HETATM    4  N   UNL     1       5.870  -2.432  -0.566  1.00  0.00           N  
HETATM    5  CB  UNL     1       5.292  -0.208   0.283  1.00  0.00           C  
HETATM    6  CG  UNL     1       3.977  -0.168  -0.498  1.00  0.00           C  
HETATM    7  CD  UNL     1       2.949   0.659   0.277  1.00  0.00           C  
HETATM    8  CE  UNL     1       1.634   0.699  -0.504  1.00  0.00           C  
HETATM    9  N   UNL     1       0.647   1.493   0.240  1.00  0.00           N  
HETATM   10  CA  UNL     1      -0.632   1.553  -0.481  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.586   2.689  -1.505  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.477   3.941  -0.824  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.749   1.804   0.498  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.507   2.272   1.584  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.170   1.470   0.121  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.069   2.194   0.964  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.405  -0.031   0.295  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.713  -0.366  -0.171  1.00  0.00           O  
HETATM   19  P   UNL     1      -5.299  -1.866  -0.139  1.00  0.00           P  
HETATM   20  O   UNL     1      -6.739  -1.895  -0.858  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.373  -2.773  -0.852  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.452  -2.349   1.390  1.00  0.00           O  
HETATM   23  HA  UNL     1       6.425  -0.633  -1.500  1.00  0.00           H  
HETATM   24  H1  UNL     1       6.499  -2.986  -1.128  1.00  0.00           H  
HETATM   25  H2  UNL     1       5.765  -2.827   0.356  1.00  0.00           H  
HETATM   26  HB1 UNL     1       5.122  -0.663   1.259  1.00  0.00           H  
HETATM   27  HB2 UNL     1       5.667   0.806   0.415  1.00  0.00           H  
HETATM   28  HG1 UNL     1       4.148   0.286  -1.474  1.00  0.00           H  
HETATM   29  HG2 UNL     1       3.602  -1.183  -0.630  1.00  0.00           H  
HETATM   30  HD1 UNL     1       2.778   0.205   1.253  1.00  0.00           H  
HETATM   31  HD2 UNL     1       3.324   1.673   0.409  1.00  0.00           H  
HETATM   32  HE1 UNL     1       1.804   1.153  -1.480  1.00  0.00           H  
HETATM   33  HE2 UNL     1       1.259  -0.316  -0.636  1.00  0.00           H  
HETATM   34  H   UNL     1       0.519   1.129   1.172  1.00  0.00           H  
HETATM   35  HA  UNL     1      -0.804   0.608  -0.996  1.00  0.00           H  
HETATM   36  H1  UNL     1       0.276   2.555  -2.159  1.00  0.00           H  
HETATM   37  H2  UNL     1      -1.499   2.678  -2.101  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.443   4.707  -1.412  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.345   1.747  -0.919  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.970   1.997   1.905  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.662  -0.585  -0.279  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.317  -0.293   1.350  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.152  -2.769  -0.875  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.046  -1.798   1.918  1.00  0.00           H  
HETATM   45  OXT UNL     1       8.444   0.097   0.058  1.00  0.00           O  
HETATM   46  HXT UNL     1       9.287   0.092   0.531  1.00  0.00           H  
CONECT    1    2    2    3   45                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5   23                                       
CONECT    4    3   24   25                                            
CONECT    5    3    6   26   27                                       
CONECT    6    5    7   28   29                                       
CONECT    7    6    8   30   31                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10   34                                            
CONECT   10   11    9   13   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   11   38                                                 
CONECT   13   10   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   17   39                                       
CONECT   16   15   40                                                 
CONECT   17   15   18   41   42                                       
CONECT   18   17   19                                                 
CONECT   19   21   21   18   20                                       
CONECT   19   22                                                      
CONECT   20   19   43                                                 
CONECT   21   19   19                                                 
CONECT   22   19   44                                                 
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45    1   46                                                 
CONECT   46   45                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
