COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.371  -0.471  -1.912  1.00  0.00           N  
HETATM    2  CA  UNL     1       5.952   0.500  -0.892  1.00  0.00           C  
HETATM    3  C   UNL     1       7.165   1.021  -0.167  1.00  0.00           C  
HETATM    4  O   UNL     1       8.200   0.398  -0.193  1.00  0.00           O  
HETATM    5  OXT UNL     1       7.096   2.179   0.509  1.00  0.00           O  
HETATM    6  C   UNL     1       5.015  -0.183   0.106  1.00  0.00           C  
HETATM    7  C   UNL     1       3.728  -0.603  -0.607  1.00  0.00           C  
HETATM    8  C   UNL     1       2.791  -1.285   0.392  1.00  0.00           C  
HETATM    9  N   UNL     1       3.402  -2.537   0.860  1.00  0.00           N  
HETATM   10  C   UNL     1       1.476  -1.588  -0.279  1.00  0.00           C  
HETATM   11  C   UNL     1       0.368  -1.026   0.160  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.890  -1.303  -0.282  1.00  0.00           O  
HETATM   13  C   UNL     1       0.283   0.032   1.243  1.00  0.00           C  
HETATM   14  O   UNL     1       1.061   1.177   0.888  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.223   0.394   1.298  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.409   1.806   1.415  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.702  -0.126  -0.086  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.124  -0.477  -0.043  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.645  -1.693   0.286  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.944  -1.652   0.221  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.338  -0.411  -0.153  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.581   0.205  -0.380  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.760  -0.502  -0.224  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.596   1.482  -0.748  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.476   2.164  -0.899  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.290   1.629  -0.697  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.175   0.359  -0.321  1.00  0.00           C  
HETATM   28  H1  UNL     1       6.857  -1.249  -1.493  1.00  0.00           H  
HETATM   29  H2  UNL     1       5.582  -0.788  -2.456  1.00  0.00           H  
HETATM   30  HA  UNL     1       5.431   1.328  -1.372  1.00  0.00           H  
HETATM   31  HXT UNL     1       7.901   2.473   0.959  1.00  0.00           H  
HETATM   32  H   UNL     1       5.505  -1.064   0.520  1.00  0.00           H  
HETATM   33  H   UNL     1       4.775   0.511   0.912  1.00  0.00           H  
HETATM   34  H   UNL     1       3.238   0.279  -1.020  1.00  0.00           H  
HETATM   35  H   UNL     1       3.968  -1.296  -1.412  1.00  0.00           H  
HETATM   36  H   UNL     1       2.622  -0.624   1.242  1.00  0.00           H  
HETATM   37  H   UNL     1       3.653  -3.129   0.083  1.00  0.00           H  
HETATM   38  H   UNL     1       4.201  -2.352   1.447  1.00  0.00           H  
HETATM   39  H   UNL     1       1.442  -2.266  -1.119  1.00  0.00           H  
HETATM   40  H   UNL     1       0.613  -0.374   2.200  1.00  0.00           H  
HETATM   41  H   UNL     1       2.012   1.008   0.845  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.725  -0.135   2.109  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.029   2.188   2.217  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.508   0.611  -0.865  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.065  -2.562   0.560  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.735  -1.433   0.045  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.612  -0.066  -0.384  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.535   3.200  -1.200  1.00  0.00           H  
CONECT    1    2   28   29                                            
CONECT    2    3    1    6   30                                       
CONECT    3    4    4    5    2                                       
CONECT    4    3    3                                                 
CONECT    5    3   31                                                 
CONECT    6    7    2   32   33                                       
CONECT    7    8    6   34   35                                       
CONECT    8    9    7   10   36                                       
CONECT    9    8   37   38                                            
CONECT   10    8   11   11   39                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11   17                                                 
CONECT   13   11   15   14   40                                       
CONECT   14   13   41                                                 
CONECT   15   13   17   16   42                                       
CONECT   16   15   43                                                 
CONECT   17   12   18   15   44                                       
CONECT   18   19   17   27                                            
CONECT   19   20   20   18   45                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   27                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   46   47                                            
CONECT   24   22   25   25                                            
CONECT   25   24   24   26   48                                       
CONECT   26   27   27   25                                            
CONECT   27   18   21   26   26                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
