COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.043   2.179   0.307  1.00  0.00           O  
HETATM    2  C   UNL     1       1.160   2.086   0.181  1.00  0.00           C  
HETATM    3  OXT UNL     1       1.918   3.197   0.108  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.797   0.748   0.113  1.00  0.00           C  
HETATM    5  N   UNL     1       3.144   0.632  -0.154  1.00  0.00           N  
HETATM    6  C   UNL     1       3.739  -0.570  -0.219  1.00  0.00           C  
HETATM    7  O   UNL     1       4.930  -0.629  -0.457  1.00  0.00           O  
HETATM    8  N   UNL     1       3.053  -1.711  -0.029  1.00  0.00           N  
HETATM    9  C   UNL     1       1.730  -1.676   0.237  1.00  0.00           C  
HETATM   10  O   UNL     1       1.107  -2.706   0.410  1.00  0.00           O  
HETATM   11  C   UNL     1       1.059  -0.373   0.319  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.417  -0.283   0.614  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.204  -0.357  -0.696  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.679  -0.267  -0.401  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.408  -1.417  -0.161  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.761  -1.335   0.109  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.385  -0.102   0.139  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.657   1.048  -0.100  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.303   0.966  -0.366  1.00  0.00           C  
HETATM   20  HXT UNL     1       1.458   4.046   0.160  1.00  0.00           H  
HETATM   21  H   UNL     1       3.511  -2.564  -0.083  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.709  -1.110   1.261  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.630   0.662   1.113  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.911   0.469  -1.343  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.990  -1.303  -1.195  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.919  -2.380  -0.184  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.330  -2.233   0.296  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.443  -0.037   0.349  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.145   2.011  -0.077  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.733   1.865  -0.549  1.00  0.00           H  
HETATM   31  H   UNL     1       3.672   1.433  -0.297  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   20                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   31                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   21                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   22   23                                       
CONECT   13   14   12   24   25                                       
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   26                                       
CONECT   16   15   15   17   27                                       
CONECT   17   16   18   18   28                                       
CONECT   18   17   17   19   29                                       
CONECT   19   14   14   18   30                                       
CONECT   20    3                                                      
CONECT   21    8                                                      
CONECT   22   12                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31    5                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
