COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.949   0.095   0.183  1.00  0.00           C  
HETATM    2  C   UNL     1       0.344  -3.336   0.124  1.00  0.00           C  
HETATM    3  N   UNL     1       4.345   1.559  -1.739  1.00  0.00           N  
HETATM    4  OE1 UNL     1      -1.757  -1.191  -1.105  1.00  0.00           O  
HETATM    5  CA  UNL     1       0.684  -1.907  -0.214  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.230  -1.007   0.494  1.00  0.00           N  
HETATM    7  N   UNL     1      -4.019   2.664   0.684  1.00  0.00           N  
HETATM    8  O   UNL     1      -0.568  -3.577   0.879  1.00  0.00           O  
HETATM    9  CB  UNL     1      -3.656   0.381  -0.126  1.00  0.00           C  
HETATM   10  C   UNL     1       2.123  -1.611   0.212  1.00  0.00           C  
HETATM   11  O   UNL     1       6.671   1.749  -0.470  1.00  0.00           O  
HETATM   12  CG  UNL     1      -2.372   0.214   0.689  1.00  0.00           C  
HETATM   13  OXT UNL     1       5.858   2.247   1.524  1.00  0.00           O  
HETATM   14  CD  UNL     1      -1.432  -0.711  -0.039  1.00  0.00           C  
HETATM   15  CA  UNL     1      -4.611   1.321   0.613  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.922   1.389  -0.127  1.00  0.00           C  
HETATM   17  C   UNL     1       2.510  -0.202  -0.243  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.159   2.326  -0.852  1.00  0.00           O  
HETATM   19  CA  UNL     1       4.336   1.503  -0.271  1.00  0.00           C  
HETATM   20  C   UNL     1       5.707   1.842   0.254  1.00  0.00           C  
HETATM   21  OXT UNL     1      -6.827   0.409   0.020  1.00  0.00           O  
HETATM   22  OXT UNL     1       1.055  -4.340  -0.413  1.00  0.00           O  
HETATM   23  H   UNL     1       4.028   0.029   1.268  1.00  0.00           H  
HETATM   24  H   UNL     1       4.620  -0.632  -0.275  1.00  0.00           H  
HETATM   25  H1  UNL     1       4.535   2.495  -2.064  1.00  0.00           H  
HETATM   26  H2  UNL     1       5.009   0.902  -2.121  1.00  0.00           H  
HETATM   27  HA  UNL     1       0.584  -1.754  -1.289  1.00  0.00           H  
HETATM   28  H   UNL     1       0.030  -0.624   1.346  1.00  0.00           H  
HETATM   29  H1  UNL     1      -3.850   3.034  -0.239  1.00  0.00           H  
HETATM   30  H2  UNL     1      -4.600   3.287   1.224  1.00  0.00           H  
HETATM   31  HB1 UNL     1      -3.415   0.802  -1.102  1.00  0.00           H  
HETATM   32  HB2 UNL     1      -4.132  -0.590  -0.257  1.00  0.00           H  
HETATM   33  H   UNL     1       2.202  -1.677   1.297  1.00  0.00           H  
HETATM   34  H   UNL     1       2.795  -2.337  -0.246  1.00  0.00           H  
HETATM   35  HG1 UNL     1      -1.896   1.186   0.820  1.00  0.00           H  
HETATM   36  HG2 UNL     1      -2.613  -0.207   1.665  1.00  0.00           H  
HETATM   37  HXT UNL     1       6.757   2.453   1.816  1.00  0.00           H  
HETATM   38  HA  UNL     1      -4.782   0.946   1.622  1.00  0.00           H  
HETATM   39  H   UNL     1       1.838   0.525   0.215  1.00  0.00           H  
HETATM   40  H   UNL     1       2.431  -0.136  -1.328  1.00  0.00           H  
HETATM   41  HA  UNL     1       3.612   2.221   0.115  1.00  0.00           H  
HETATM   42  HXT UNL     1      -7.653   0.497  -0.475  1.00  0.00           H  
HETATM   43  HXT UNL     1       0.799  -5.239  -0.167  1.00  0.00           H  
CONECT    1   17   19   23   24                                       
CONECT    2    5    8    8   22                                       
CONECT    3   19   25   26                                            
CONECT    4   14   14                                                 
CONECT    5    2   10    6   27                                       
CONECT    6    5   14   28                                            
CONECT    7   15   29   30                                            
CONECT    8    2    2                                                 
CONECT    9   12   15   31   32                                       
CONECT   10   17    5   33   34                                       
CONECT   11   20   20                                                 
CONECT   12   14    9   35   36                                       
CONECT   13   20   37                                                 
CONECT   14    6    4    4   12                                       
CONECT   15   16    9    7   38                                       
CONECT   16   18   18   21   15                                       
CONECT   17    1   10   39   40                                       
CONECT   18   16   16                                                 
CONECT   19    1    3   20   41                                       
CONECT   20   11   11   19   13                                       
CONECT   21   16   42                                                 
CONECT   22    2   43                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
