COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.326  -2.937   1.266  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.624  -2.169   0.405  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.673  -2.742   1.404  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.305  -1.793   0.689  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.630  -1.014  -0.176  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.301  -1.174  -0.341  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.434  -3.575   2.338  1.00  0.00           C  
HETATM    8  C   UNL     1       0.861  -2.368   0.239  1.00  0.00           C  
HETATM    9  C   UNL     1       1.167  -2.857  -1.193  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.342   0.011  -0.943  1.00  0.00           C  
HETATM   11  C   UNL     1       2.471  -2.085  -1.533  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.345   1.325  -0.158  1.00  0.00           C  
HETATM   13  CA  UNL     1      -4.088   2.396  -0.958  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.197   3.653  -0.135  1.00  0.00           C  
HETATM   15  C   UNL     1       2.228  -0.752  -0.780  1.00  0.00           C  
HETATM   16  C   UNL     1       3.561  -0.079  -0.449  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.349   2.684  -2.195  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.503  -1.638   0.827  1.00  0.00           O  
HETATM   19  O   UNL     1       1.388  -4.269  -1.211  1.00  0.00           O  
HETATM   20  O   UNL     1       3.620  -2.763  -1.022  1.00  0.00           O  
HETATM   21  OXT UNL     1      -5.142   3.754   0.814  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.435   4.570  -0.328  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.690  -0.469  -1.123  1.00  0.00           O  
HETATM   24  O   UNL     1       1.542  -1.122   0.426  1.00  0.00           O  
HETATM   25  O   UNL     1       3.315   1.171   0.199  1.00  0.00           O  
HETATM   26  O   UNL     1       5.412   1.409   1.584  1.00  0.00           O  
HETATM   27  O   UNL     1       5.310   2.693  -0.587  1.00  0.00           O  
HETATM   28  P   UNL     1       4.494   2.151   0.691  1.00  0.00           P  
HETATM   29  H   UNL     1      -0.826  -3.704   1.839  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.448  -3.101   3.319  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.456  -3.688   1.975  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.966  -4.556   2.415  1.00  0.00           H  
HETATM   33  H   UNL     1       1.219  -3.099   0.964  1.00  0.00           H  
HETATM   34  H   UNL     1       0.364  -2.583  -1.877  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.843   0.161  -1.900  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.369  -0.311  -1.115  1.00  0.00           H  
HETATM   37  H   UNL     1       2.561  -1.919  -2.606  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.843   1.175   0.799  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.318   1.647   0.014  1.00  0.00           H  
HETATM   40  HA  UNL     1      -5.087   2.036  -1.207  1.00  0.00           H  
HETATM   41  H   UNL     1       1.606  -0.087  -1.380  1.00  0.00           H  
HETATM   42  H   UNL     1       4.139  -0.723   0.213  1.00  0.00           H  
HETATM   43  H   UNL     1       4.120   0.093  -1.368  1.00  0.00           H  
HETATM   44  H1  UNL     1      -2.420   3.019  -1.992  1.00  0.00           H  
HETATM   45  H2  UNL     1      -3.318   1.872  -2.795  1.00  0.00           H  
HETATM   46  H   UNL     1       1.585  -4.624  -2.089  1.00  0.00           H  
HETATM   47  H   UNL     1       3.749  -3.649  -1.388  1.00  0.00           H  
HETATM   48  HXT UNL     1      -5.173   4.579   1.316  1.00  0.00           H  
HETATM   49  H   UNL     1       4.769   3.190  -1.216  1.00  0.00           H  
HETATM   50  O   UNL     1       3.859   3.396   1.490  1.00  0.00           O  
HETATM   51  H   UNL     1       4.513   4.029   1.816  1.00  0.00           H  
CONECT    1    3    2    2   29                                       
CONECT    2    1    1    8    6                                       
CONECT    3    7    1    4                                            
CONECT    4    3   18   18    5                                       
CONECT    5    4    6   10                                            
CONECT    6    2    5   23   23                                       
CONECT    7    3   30   31   32                                       
CONECT    8   24    9    2   33                                       
CONECT    9   11    8   19   34                                       
CONECT   10    5   12   35   36                                       
CONECT   11   15   20    9   37                                       
CONECT   12   10   13   38   39                                       
CONECT   13   12   14   17   40                                       
CONECT   14   22   22   13   21                                       
CONECT   15   16   24   11   41                                       
CONECT   16   25   15   42   43                                       
CONECT   17   13   44   45                                            
CONECT   18    4    4                                                 
CONECT   19    9   46                                                 
CONECT   20   11   47                                                 
CONECT   21   14   48                                                 
CONECT   22   14   14                                                 
CONECT   23    6    6                                                 
CONECT   24   15    8                                                 
CONECT   25   28   16                                                 
CONECT   26   28   28                                                 
CONECT   27   28   49                                                 
CONECT   28   27   26   26   25                                       
CONECT   28   50                                                      
CONECT   29    1                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   27                                                      
CONECT   50   28   51                                                 
CONECT   51   50                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
