COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.884  -4.556   0.662  1.00  0.00           N  
HETATM    2  CA  UNL     1       4.237  -3.350   0.148  1.00  0.00           C  
HETATM    3  C   UNL     1       3.856  -2.421   1.305  1.00  0.00           C  
HETATM    4  C   UNL     1       5.224  -2.716  -0.818  1.00  0.00           C  
HETATM    5  O   UNL     1       6.442  -2.762  -0.714  1.00  0.00           O  
HETATM    6  C   UNL     1       3.202  -1.161   0.826  1.00  0.00           C  
HETATM    7  C   UNL     1       1.731  -1.195   0.619  1.00  0.00           C  
HETATM    8  O   UNL     1       1.068  -2.207   0.828  1.00  0.00           O  
HETATM    9  C   UNL     1       1.074   0.042   0.147  1.00  0.00           C  
HETATM   10  C   UNL     1       3.886  -0.036   0.587  1.00  0.00           C  
HETATM   11  C   UNL     1       3.232   1.205   0.115  1.00  0.00           C  
HETATM   12  N   UNL     1       3.903   2.290  -0.115  1.00  0.00           N  
HETATM   13  C   UNL     1       1.763   1.163  -0.090  1.00  0.00           C  
HETATM   14  O   UNL     1       1.122   2.303  -0.531  1.00  0.00           O  
HETATM   15  C   UNL     1       4.002   6.450   1.048  1.00  0.00           C  
HETATM   16  C   UNL     1       4.457   5.399   0.252  1.00  0.00           C  
HETATM   17  C   UNL     1       5.529   4.634   0.684  1.00  0.00           C  
HETATM   18  C   UNL     1       6.157   4.893   1.892  1.00  0.00           C  
HETATM   19  C   UNL     1       5.702   5.944   2.689  1.00  0.00           C  
HETATM   20  C   UNL     1       4.624   6.722   2.267  1.00  0.00           C  
HETATM   21  C   UNL     1       6.022   3.498  -0.178  1.00  0.00           C  
HETATM   22  C   UNL     1       5.331   2.173   0.130  1.00  0.00           C  
HETATM   23  O   UNL     1       4.181   7.748   3.043  1.00  0.00           O  
HETATM   24  OXT UNL     1       4.597  -2.078  -1.843  1.00  0.00           O  
HETATM   25  H1  UNL     1       5.500  -5.050   0.056  1.00  0.00           H  
HETATM   26  H2  UNL     1       4.536  -4.948   1.509  1.00  0.00           H  
HETATM   27  HA  UNL     1       3.335  -3.626  -0.412  1.00  0.00           H  
HETATM   28  H   UNL     1       4.735  -2.154   1.903  1.00  0.00           H  
HETATM   29  H   UNL     1       3.151  -2.922   1.979  1.00  0.00           H  
HETATM   30  H   UNL     1       0.000   0.005  -0.001  1.00  0.00           H  
HETATM   31  H   UNL     1       4.961   0.001   0.734  1.00  0.00           H  
HETATM   32  H   UNL     1       0.199   2.106  -0.721  1.00  0.00           H  
HETATM   33  H   UNL     1       3.162   7.053   0.714  1.00  0.00           H  
HETATM   34  H   UNL     1       3.966   5.195  -0.696  1.00  0.00           H  
HETATM   35  H   UNL     1       6.998   4.292   2.229  1.00  0.00           H  
HETATM   36  H   UNL     1       6.191   6.151   3.636  1.00  0.00           H  
HETATM   37  H   UNL     1       5.894   3.752  -1.238  1.00  0.00           H  
HETATM   38  H   UNL     1       7.103   3.388  -0.023  1.00  0.00           H  
HETATM   39  H   UNL     1       5.729   1.390  -0.524  1.00  0.00           H  
HETATM   40  H   UNL     1       5.501   1.859   1.166  1.00  0.00           H  
HETATM   41  H   UNL     1       3.664   8.374   2.510  1.00  0.00           H  
HETATM   42  HXT UNL     1       5.198  -1.657  -2.494  1.00  0.00           H  
CONECT    1    2   25   26                                            
CONECT    2    1    3    4   27                                       
CONECT    3    2    6   28   29                                       
CONECT    4    2    5    5   24                                       
CONECT    5    4    4                                                 
CONECT    6    3    7   10   10                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   13   13   30                                       
CONECT   10    6    6   11   31                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   22                                            
CONECT   13    9    9   11   14                                       
CONECT   14   13   32                                                 
CONECT   15   16   20   20   33                                       
CONECT   16   15   17   17   34                                       
CONECT   17   16   16   18   21                                       
CONECT   18   17   19   19   35                                       
CONECT   19   18   18   20   36                                       
CONECT   20   15   15   19   23                                       
CONECT   21   17   22   37   38                                       
CONECT   22   12   21   39   40                                       
CONECT   23   20   41                                                 
CONECT   24    4   42                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
