COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.313  -2.151  -0.344  1.00  0.00           C  
HETATM    2  N   UNL     1       1.764   1.917   0.097  1.00  0.00           N  
HETATM    3  C   UNL     1       0.428   2.028  -0.176  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.084   0.819  -0.453  1.00  0.00           C  
HETATM    5  C   UNL     1       1.013  -0.146  -0.349  1.00  0.00           C  
HETATM    6  C   UNL     1       2.154   0.600   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.369  -0.055   0.173  1.00  0.00           C  
HETATM    8  C   UNL     1       4.602   0.727   0.546  1.00  0.00           C  
HETATM    9  C   UNL     1       3.442  -1.419   0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       1.110  -1.528  -0.518  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.517   0.512  -0.805  1.00  0.00           C  
HETATM   12  CA  UNL     1      -2.274   0.095   0.458  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.720  -1.167   0.967  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.733  -0.093   0.130  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.174  -1.204  -0.049  1.00  0.00           O  
HETATM   16  OXT UNL     1      -4.543   0.973   0.037  1.00  0.00           O  
HETATM   17  H   UNL     1       2.388  -3.220  -0.479  1.00  0.00           H  
HETATM   18  H   UNL     1       2.350   2.656   0.325  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.131   2.952  -0.169  1.00  0.00           H  
HETATM   20  H   UNL     1       4.685   0.779   1.632  1.00  0.00           H  
HETATM   21  H   UNL     1       5.484   0.232   0.138  1.00  0.00           H  
HETATM   22  H   UNL     1       4.531   1.735   0.139  1.00  0.00           H  
HETATM   23  H   UNL     1       4.386  -1.926   0.136  1.00  0.00           H  
HETATM   24  H   UNL     1       0.236  -2.104  -0.786  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.985   1.399  -1.232  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.547  -0.301  -1.531  1.00  0.00           H  
HETATM   27  HA  UNL     1      -2.170   0.870   1.217  1.00  0.00           H  
HETATM   28  H1  UNL     1      -2.160  -1.430   1.836  1.00  0.00           H  
HETATM   29  H2  UNL     1      -1.805  -1.902   0.281  1.00  0.00           H  
HETATM   30  HXT UNL     1      -5.471   0.802  -0.176  1.00  0.00           H  
CONECT    1   10   10    9   17                                       
CONECT    2    6    3   18                                            
CONECT    3    4    4    2   19                                       
CONECT    4    5   11    3    3                                       
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7    2                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   20   21   22                                       
CONECT    9    1    7    7   23                                       
CONECT   10    1    1    5   24                                       
CONECT   11   12    4   25   26                                       
CONECT   12   13   14   11   27                                       
CONECT   13   12   28   29                                            
CONECT   14   15   15   12   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   30                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
