COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1       3.202   3.144  -0.105  1.00  0.00           O  
HETATM    2  C   UNL     1       2.235   2.210  -0.183  1.00  0.00           C  
HETATM    3  O   UNL     1       1.075   2.547  -0.308  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.586   0.772  -0.118  1.00  0.00           C  
HETATM    5  N   UNL     1       3.879   0.384   0.161  1.00  0.00           N  
HETATM    6  C   UNL     1       4.218  -0.915   0.224  1.00  0.00           C  
HETATM    7  O   UNL     1       5.369  -1.215   0.473  1.00  0.00           O  
HETATM    8  N   UNL     1       3.316  -1.892   0.020  1.00  0.00           N  
HETATM    9  C   UNL     1       2.031  -1.589  -0.257  1.00  0.00           C  
HETATM   10  O   UNL     1       1.214  -2.470  -0.442  1.00  0.00           O  
HETATM   11  C   UNL     1       1.636  -0.176  -0.327  1.00  0.00           C  
HETATM   12  C   UNL     1       0.213   0.212  -0.634  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.583   0.305   0.669  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.959   0.848   0.381  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.183   2.212   0.413  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.445   2.711   0.149  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.482   1.846  -0.147  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.257   0.482  -0.180  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.994  -0.016   0.079  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.749  -1.503   0.044  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.203  -1.914   1.264  1.00  0.00           F  
HETATM   22  F   UNL     1      -3.959  -2.170  -0.175  1.00  0.00           F  
HETATM   23  F   UNL     1      -1.857  -1.804  -0.991  1.00  0.00           F  
HETATM   24  HXT UNL     1       2.924   4.069  -0.152  1.00  0.00           H  
HETATM   25  H   UNL     1       3.592  -2.820   0.073  1.00  0.00           H  
HETATM   26  H   UNL     1       0.200   1.179  -1.137  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.238  -0.540  -1.282  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.670  -0.687   1.113  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.068   0.969   1.363  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.373   2.887   0.645  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.621   3.776   0.174  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.468   2.236  -0.353  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.068  -0.193  -0.411  1.00  0.00           H  
HETATM   34  H   UNL     1       4.557   1.060   0.314  1.00  0.00           H  
CONECT    1    2   24                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   34                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   25                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   26   27                                       
CONECT   13   14   12   28   29                                       
CONECT   14   15   15   19   13                                       
CONECT   15   16   14   14   30                                       
CONECT   16   17   17   15   31                                       
CONECT   17   16   16   18   32                                       
CONECT   18   17   19   19   33                                       
CONECT   19   18   18   14   20                                       
CONECT   20   19   23   21   22                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24    1                                                      
CONECT   25    8                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34    5                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
