COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.127   0.505  -0.818  1.00  0.00           C  
HETATM    2  CA  UNL     1      -2.945   0.587   0.472  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.301   1.170   0.171  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.259   0.443   0.052  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.105  -0.760   1.036  1.00  0.00           N  
HETATM    6  C   UNL     1       4.148   2.612   0.591  1.00  0.00           C  
HETATM    7  C   UNL     1       2.782   2.072   0.163  1.00  0.00           C  
HETATM    8  C   UNL     1       3.200   0.126   1.673  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.730   0.038  -0.499  1.00  0.00           C  
HETATM   10  C   UNL     1       0.342   0.815  -0.282  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.287  -1.352  -0.360  1.00  0.00           C  
HETATM   12  N   UNL     1       1.437   0.038  -0.021  1.00  0.00           N  
HETATM   13  C   UNL     1       1.087  -1.293  -0.060  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.925  -2.589  -0.462  1.00  0.00           C  
HETATM   15  C   UNL     1       1.794  -2.476   0.126  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.212  -3.738  -0.271  1.00  0.00           C  
HETATM   17  C   UNL     1       1.145  -3.686   0.017  1.00  0.00           C  
HETATM   18  C   UNL     1       2.782   0.546   0.262  1.00  0.00           C  
HETATM   19  C   UNL     1       3.769  -0.031  -0.754  1.00  0.00           C  
HETATM   20  O   UNL     1       2.517   2.462  -1.186  1.00  0.00           O  
HETATM   21  OXT UNL     1      -4.446   2.498   0.035  1.00  0.00           O  
HETATM   22  H   UNL     1      -2.598  -0.199  -1.503  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.083   1.490  -1.283  1.00  0.00           H  
HETATM   24  HA  UNL     1      -2.427   1.222   1.191  1.00  0.00           H  
HETATM   25  H1  UNL     1      -3.583  -1.369   0.389  1.00  0.00           H  
HETATM   26  H2  UNL     1      -2.214  -1.148   1.306  1.00  0.00           H  
HETATM   27  H   UNL     1       4.318   2.378   1.642  1.00  0.00           H  
HETATM   28  H   UNL     1       4.927   2.149  -0.015  1.00  0.00           H  
HETATM   29  H   UNL     1       4.173   3.692   0.451  1.00  0.00           H  
HETATM   30  H   UNL     1       2.010   2.479   0.816  1.00  0.00           H  
HETATM   31  H   UNL     1       2.496   0.538   2.397  1.00  0.00           H  
HETATM   32  H   UNL     1       3.200  -0.961   1.744  1.00  0.00           H  
HETATM   33  H   UNL     1       4.200   0.504   1.883  1.00  0.00           H  
HETATM   34  H   UNL     1       0.341   1.895  -0.311  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.980  -2.637  -0.691  1.00  0.00           H  
HETATM   36  H   UNL     1       2.849  -2.446   0.356  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.706  -4.695  -0.350  1.00  0.00           H  
HETATM   38  H   UNL     1       1.696  -4.604   0.162  1.00  0.00           H  
HETATM   39  H   UNL     1       3.770  -1.119  -0.684  1.00  0.00           H  
HETATM   40  H   UNL     1       3.472   0.268  -1.760  1.00  0.00           H  
HETATM   41  H   UNL     1       4.770   0.347  -0.544  1.00  0.00           H  
HETATM   42  H   UNL     1       2.502   3.419  -1.324  1.00  0.00           H  
HETATM   43  HXT UNL     1      -5.335   2.825  -0.158  1.00  0.00           H  
CONECT    1    9    2   22   23                                       
CONECT    2    3    1    5   24                                       
CONECT    3    4    4    2   21                                       
CONECT    4    3    3                                                 
CONECT    5    2   25   26                                            
CONECT    6    7   27   28   29                                       
CONECT    7   20    6   18   30                                       
CONECT    8   18   31   32   33                                       
CONECT    9   10   10    1   11                                       
CONECT   10   12    9    9   34                                       
CONECT   11    9   13   14   14                                       
CONECT   12   18   10   13                                            
CONECT   13   12   15   15   11                                       
CONECT   14   11   11   16   35                                       
CONECT   15   13   13   17   36                                       
CONECT   16   17   17   14   37                                       
CONECT   17   15   16   16   38                                       
CONECT   18   19    8    7   12                                       
CONECT   19   18   39   40   41                                       
CONECT   20    7   42                                                 
CONECT   21    3   43                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
