COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.209   0.355   2.656  1.00  0.00           N  
HETATM    2  N   UNL     1       3.265   0.485   1.609  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.549   1.293   0.171  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.474  -0.060   0.463  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.026  -1.042  -0.587  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.748   2.579   3.514  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.186   1.809  -1.197  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.406   2.341  -3.641  1.00  0.00           C  
HETATM    9  C   UNL     1       3.270   0.477  -0.837  1.00  0.00           C  
HETATM   10  C   UNL     1       5.080  -0.630   0.446  1.00  0.00           C  
HETATM   11  C   UNL     1       2.194   0.748   3.823  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.816  -0.497   1.729  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.293   1.649   2.420  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.968   2.163   1.173  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.987  -2.356  -0.025  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.057   3.498   0.933  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.761   2.164  -1.225  1.00  0.00           N  
HETATM   18  CA  UNL     1      -0.086   1.546  -2.374  1.00  0.00           C  
HETATM   19  O   UNL     1       0.152   3.652  -3.536  1.00  0.00           O  
HETATM   20  CB  UNL     1       1.425   1.548  -2.139  1.00  0.00           C  
HETATM   21  P   UNL     1      -1.771  -3.683  -0.911  1.00  0.00           P  
HETATM   22  O   UNL     1      -1.719  -4.970   0.054  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.894  -3.826  -1.865  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.387  -3.566  -1.725  1.00  0.00           O  
HETATM   25  CG2 UNL     1       1.755   0.669  -0.930  1.00  0.00           C  
HETATM   26  OG1 UNL     1       1.867   2.884  -1.890  1.00  0.00           O  
HETATM   27  CA  UNL     1       3.607  -0.313   0.429  1.00  0.00           C  
HETATM   28  O   UNL     1       5.773  -0.230   1.351  1.00  0.00           O  
HETATM   29  OXT UNL     1       5.622  -1.357  -0.544  1.00  0.00           O  
HETATM   30  C   UNL     1       2.652  -0.094   2.660  1.00  0.00           C  
HETATM   31  O   UNL     1       2.468  -1.293   2.670  1.00  0.00           O  
HETATM   32  H   UNL     1       3.481   1.431   1.634  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.726  -1.026  -1.423  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.032  -0.768  -0.941  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.883   2.923   4.082  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.258   3.436   3.075  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.432   2.051   4.179  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.382   1.036  -1.941  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.785   2.691  -1.424  1.00  0.00           H  
HETATM   40  H1  UNL     1       0.021   1.832  -4.506  1.00  0.00           H  
HETATM   41  H2  UNL     1      -1.487   2.415  -3.761  1.00  0.00           H  
HETATM   42  H   UNL     1       3.622  -0.070  -1.711  1.00  0.00           H  
HETATM   43  H   UNL     1       3.757   1.451  -0.797  1.00  0.00           H  
HETATM   44  H   UNL     1       1.172   1.084   3.648  1.00  0.00           H  
HETATM   45  H   UNL     1       2.231   0.156   4.737  1.00  0.00           H  
HETATM   46  H   UNL     1       2.849   1.614   3.924  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.759  -1.550   1.962  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.921   3.781   0.603  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.308   1.910  -0.360  1.00  0.00           H  
HETATM   50  HA  UNL     1      -0.435   0.520  -2.490  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.012   4.213  -4.306  1.00  0.00           H  
HETATM   52  HB  UNL     1       1.931   1.156  -3.021  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.592  -5.807  -0.413  1.00  0.00           H  
HETATM   54  H   UNL     1       0.384  -3.393  -1.167  1.00  0.00           H  
HETATM   55 HG21 UNL     1       1.272  -0.302  -1.045  1.00  0.00           H  
HETATM   56 HG22 UNL     1       1.393   1.150  -0.022  1.00  0.00           H  
HETATM   57  HG1 UNL     1       1.458   3.296  -1.117  1.00  0.00           H  
HETATM   58  HA  UNL     1       3.035  -1.242   0.441  1.00  0.00           H  
HETATM   59  HXT UNL     1       6.571  -1.535  -0.489  1.00  0.00           H  
CONECT    1   13   13   12                                            
CONECT    2   30   27   32                                            
CONECT    3    7   14   14    4                                       
CONECT    4    3    5   12   12                                       
CONECT    5   15    4   33   34                                       
CONECT    6   13   35   36   37                                       
CONECT    7   17    3   38   39                                       
CONECT    8   19   18   40   41                                       
CONECT    9   27   25   42   43                                       
CONECT   10   27   28   28   29                                       
CONECT   11   30   44   45   46                                       
CONECT   12    4    4    1   47                                       
CONECT   13   14    6    1    1                                       
CONECT   14   16    3    3   13                                       
CONECT   15   21    5                                                 
CONECT   16   14   48                                                 
CONECT   17   18    7   49                                            
CONECT   18   20    8   17   50                                       
CONECT   19    8   51                                                 
CONECT   20   25   18   26   52                                       
CONECT   21   23   23   24   15                                       
CONECT   21   22                                                      
CONECT   22   21   53                                                 
CONECT   23   21   21                                                 
CONECT   24   21   54                                                 
CONECT   25    9   20   55   56                                       
CONECT   26   20   57                                                 
CONECT   27    2   10    9   58                                       
CONECT   28   10   10                                                 
CONECT   29   10   59                                                 
CONECT   30   31   31   11    2                                       
CONECT   31   30   30                                                 
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
