COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.533  -2.195   0.893  1.00  0.00           O  
HETATM    2  C   UNL     1       1.677  -1.292   0.095  1.00  0.00           C  
HETATM    3  C   UNL     1       3.046  -0.978  -0.450  1.00  0.00           C  
HETATM    4  N   UNL     1       3.924  -2.142  -0.266  1.00  0.00           N  
HETATM    5  C   UNL     1       3.629   0.223   0.297  1.00  0.00           C  
HETATM    6  C   UNL     1       4.963   0.620  -0.338  1.00  0.00           C  
HETATM    7  C   UNL     1       5.546   1.821   0.408  1.00  0.00           C  
HETATM    8  N   UNL     1       6.827   2.202  -0.201  1.00  0.00           N  
HETATM    9  N   UNL     1       0.610  -0.574  -0.308  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.722  -0.883   0.217  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.747   0.073  -0.397  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.138  -0.250   0.151  1.00  0.00           C  
HETATM   13  CA  UNL     1      -4.163   0.706  -0.463  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.879   2.078  -0.021  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.548   0.311  -0.019  1.00  0.00           C  
HETATM   16  OXT UNL     1      -6.182  -0.705  -0.625  1.00  0.00           O  
HETATM   17  O   UNL     1      -6.087   0.909   0.882  1.00  0.00           O  
HETATM   18  H   UNL     1       2.970  -0.744  -1.512  1.00  0.00           H  
HETATM   19  H   UNL     1       4.011  -2.379   0.711  1.00  0.00           H  
HETATM   20  H   UNL     1       3.596  -2.931  -0.802  1.00  0.00           H  
HETATM   21  H   UNL     1       2.934   1.061   0.235  1.00  0.00           H  
HETATM   22  H   UNL     1       3.788  -0.041   1.342  1.00  0.00           H  
HETATM   23  H   UNL     1       5.658  -0.218  -0.276  1.00  0.00           H  
HETATM   24  H   UNL     1       4.804   0.884  -1.383  1.00  0.00           H  
HETATM   25  H   UNL     1       4.852   2.659   0.347  1.00  0.00           H  
HETATM   26  H   UNL     1       5.705   1.558   1.454  1.00  0.00           H  
HETATM   27  H   UNL     1       7.233   2.994   0.275  1.00  0.00           H  
HETATM   28  H   UNL     1       7.467   1.422  -0.214  1.00  0.00           H  
HETATM   29  H   UNL     1       0.725   0.148  -0.946  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.984  -1.910  -0.039  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.721  -0.767   1.301  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.485   1.100  -0.142  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.748  -0.043  -1.481  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.400  -1.276  -0.105  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.138  -0.134   1.235  1.00  0.00           H  
HETATM   36  HA  UNL     1      -4.102   0.655  -1.550  1.00  0.00           H  
HETATM   37  H1  UNL     1      -3.930   2.152   0.984  1.00  0.00           H  
HETATM   38  H2  UNL     1      -2.982   2.390  -0.361  1.00  0.00           H  
HETATM   39  HXT UNL     1      -7.069  -0.921  -0.305  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    9    1    1                                       
CONECT    3    4    5    2   18                                       
CONECT    4    3   19   20                                            
CONECT    5    3    6   21   22                                       
CONECT    6    7    5   23   24                                       
CONECT    7    8    6   25   26                                       
CONECT    8    7   27   28                                            
CONECT    9    2   10   29                                            
CONECT   10    9   11   30   31                                       
CONECT   11   12   10   32   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13   14   12   15   36                                       
CONECT   14   13   37   38                                            
CONECT   15   13   17   17   16                                       
CONECT   16   15   39                                                 
CONECT   17   15   15                                                 
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
