COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.734  -0.173   0.267  1.00  0.00           N  
HETATM    2  C   UNL     1       7.419  -0.813   0.129  1.00  0.00           C  
HETATM    3  C   UNL     1       6.325   0.257   0.161  1.00  0.00           C  
HETATM    4  C   UNL     1       4.956  -0.410   0.016  1.00  0.00           C  
HETATM    5  C   UNL     1       3.862   0.660   0.048  1.00  0.00           C  
HETATM    6  C   UNL     1       2.493  -0.006  -0.096  1.00  0.00           C  
HETATM    7  C   UNL     1       1.399   1.064  -0.064  1.00  0.00           C  
HETATM    8  N   UNL     1       0.088   0.426  -0.202  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.954   0.562   0.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.957  -0.193   0.145  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.333  -0.374   0.732  1.00  0.00           C  
HETATM   12  CA  UNL     1      -4.386  -0.009  -0.317  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.284   1.422  -0.635  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.760  -0.306   0.226  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.438   0.587   0.675  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.486  -0.747  -0.978  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.274  -0.356  -1.158  1.00  0.00           N  
HETATM   18  H   UNL     1       8.778   0.384   1.107  1.00  0.00           H  
HETATM   19  H   UNL     1       7.374  -1.350  -0.819  1.00  0.00           H  
HETATM   20  H   UNL     1       7.267  -1.513   0.951  1.00  0.00           H  
HETATM   21  H   UNL     1       6.370   0.794   1.108  1.00  0.00           H  
HETATM   22  H   UNL     1       6.477   0.956  -0.661  1.00  0.00           H  
HETATM   23  H   UNL     1       4.911  -0.947  -0.931  1.00  0.00           H  
HETATM   24  H   UNL     1       4.804  -1.109   0.838  1.00  0.00           H  
HETATM   25  H   UNL     1       3.907   1.197   0.996  1.00  0.00           H  
HETATM   26  H   UNL     1       4.014   1.360  -0.774  1.00  0.00           H  
HETATM   27  H   UNL     1       2.448  -0.543  -1.043  1.00  0.00           H  
HETATM   28  H   UNL     1       2.341  -0.706   0.726  1.00  0.00           H  
HETATM   29  H   UNL     1       1.444   1.601   0.883  1.00  0.00           H  
HETATM   30  H   UNL     1       1.551   1.763  -0.886  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.980   1.154   1.554  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.466  -1.413   1.033  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.446   0.274   1.601  1.00  0.00           H  
HETATM   34  HA  UNL     1      -4.218  -0.595  -1.220  1.00  0.00           H  
HETATM   35  H1  UNL     1      -4.926   1.675  -1.372  1.00  0.00           H  
HETATM   36  OXT UNL     1      -6.230  -1.563   0.212  1.00  0.00           O  
HETATM   37  HXT UNL     1      -7.117  -1.704   0.571  1.00  0.00           H  
HETATM   38  H   UNL     1       9.474  -0.859   0.249  1.00  0.00           H  
HETATM   39  H2  UNL     1      -4.436   1.987   0.186  1.00  0.00           H  
CONECT    1    2   18   38                                            
CONECT    2    1    3   19   20                                       
CONECT    3    2    4   21   22                                       
CONECT    4    3    5   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5    7   27   28                                       
CONECT    7    6    8   29   30                                       
CONECT    8    7    9   17                                            
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   16   11                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   14   13   34                                       
CONECT   13   12   35   39                                            
CONECT   14   12   15   15   36                                       
CONECT   15   14   14                                                 
CONECT   16   10   17   17                                            
CONECT   17    8   16   16                                            
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14   37                                                 
CONECT   37   36                                                      
CONECT   38    1                                                      
CONECT   39   13                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
