COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.375  -2.218  -0.890  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.352  -0.549   0.459  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.629   1.771   1.196  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.191  -1.658  -0.865  1.00  0.00           N  
HETATM    5  N   UNL     1      -5.460  -1.696  -0.251  1.00  0.00           N  
HETATM    6  C   UNL     1       3.919  -2.437  -0.093  1.00  0.00           C  
HETATM    7  C   UNL     1       4.883  -3.403  -0.312  1.00  0.00           C  
HETATM    8  C   UNL     1       6.170  -3.214   0.155  1.00  0.00           C  
HETATM    9  C   UNL     1       6.493  -2.059   0.841  1.00  0.00           C  
HETATM   10  C   UNL     1       5.529  -1.092   1.060  1.00  0.00           C  
HETATM   11  C   UNL     1       4.244  -1.279   0.588  1.00  0.00           C  
HETATM   12  C   UNL     1       3.192  -0.226   0.827  1.00  0.00           C  
HETATM   13  C   UNL     1       3.198   0.773  -0.331  1.00  0.00           C  
HETATM   14  CA  UNL     1       2.131   1.842  -0.089  1.00  0.00           C  
HETATM   15  C   UNL     1       2.218   2.893  -1.165  1.00  0.00           C  
HETATM   16  O   UNL     1       1.270   3.102  -1.883  1.00  0.00           O  
HETATM   17  OXT UNL     1       3.351   3.595  -1.327  1.00  0.00           O  
HETATM   18  N   UNL     1       0.804   1.222  -0.117  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.223   1.797   0.540  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.047   2.829   1.157  1.00  0.00           O  
HETATM   21  CA  UNL     1      -1.567   1.170   0.511  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.755   0.049  -0.172  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.961  -0.514  -0.192  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.531  -3.381  -1.598  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.311  -0.071   1.036  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.028   0.099   0.508  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.829   1.225   1.179  1.00  0.00           N  
HETATM   28  H   UNL     1      -2.465   2.688   1.742  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.316  -2.150  -0.305  1.00  0.00           H  
HETATM   30  H   UNL     1       2.913  -2.586  -0.458  1.00  0.00           H  
HETATM   31  H   UNL     1       4.631  -4.306  -0.849  1.00  0.00           H  
HETATM   32  H   UNL     1       6.924  -3.969  -0.016  1.00  0.00           H  
HETATM   33  H   UNL     1       7.499  -1.911   1.207  1.00  0.00           H  
HETATM   34  H   UNL     1       5.782  -0.190   1.597  1.00  0.00           H  
HETATM   35  H   UNL     1       2.213  -0.699   0.895  1.00  0.00           H  
HETATM   36  H   UNL     1       3.408   0.297   1.759  1.00  0.00           H  
HETATM   37  H   UNL     1       4.178   1.246  -0.398  1.00  0.00           H  
HETATM   38  H   UNL     1       2.983   0.250  -1.263  1.00  0.00           H  
HETATM   39  HA  UNL     1       2.295   2.304   0.885  1.00  0.00           H  
HETATM   40  HXT UNL     1       3.359   4.258  -2.031  1.00  0.00           H  
HETATM   41  H   UNL     1       0.664   0.399  -0.610  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.775  -3.770  -2.065  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.398  -3.816  -1.632  1.00  0.00           H  
CONECT    1    5    4    4   24                                       
CONECT    2   25   25   26    5                                       
CONECT    3   27   27   21   28                                       
CONECT    4   23    1    1                                            
CONECT    5    2    1   29                                            
CONECT    6   11   11    7   30                                       
CONECT    7    8    8    6   31                                       
CONECT    8    9    7    7   32                                       
CONECT    9   10   10    8   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   12    6    6                                       
CONECT   12   13   11   35   36                                       
CONECT   13   12   14   37   38                                       
CONECT   14   13   18   15   39                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   40                                                 
CONECT   18   14   19   41                                            
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21    3   19   22   22                                       
CONECT   22   21   21   23                                            
CONECT   23   26   26   22    4                                       
CONECT   24    1   42   43                                            
CONECT   25    2    2                                                 
CONECT   26   27    2   23   23                                       
CONECT   27    3    3   26                                            
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
