COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.148   0.092  -0.921  1.00  0.00           C  
HETATM    2  N   UNL     1       4.519   1.360   1.054  1.00  0.00           N  
HETATM    3  O   UNL     1       5.562   1.130  -1.378  1.00  0.00           O  
HETATM    4  CA  UNL     1       4.303   0.102   0.327  1.00  0.00           C  
HETATM    5  C   UNL     1       2.827  -0.019  -0.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.299  -0.185  -0.905  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.289   2.111  -0.521  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.789  -1.318  -0.317  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.573  -1.914  -0.039  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.825   0.867   0.050  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.920   0.065  -0.276  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.070  -1.414   0.624  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.268   0.795   0.690  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.475  -1.127   0.281  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.604   0.278   0.323  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.147   0.653  -0.562  1.00  0.00           N  
HETATM   17  N   UNL     1       0.565  -0.250   0.847  1.00  0.00           N  
HETATM   18  O   UNL     1       0.431  -2.519   0.693  1.00  0.00           O  
HETATM   19  O   UNL     1       0.027   1.965   0.827  1.00  0.00           O  
HETATM   20  C   UNL     1       1.979  -0.134   1.213  1.00  0.00           C  
HETATM   21  OXT UNL     1       5.435  -1.071  -1.528  1.00  0.00           O  
HETATM   22  H1  UNL     1       5.473   1.434   1.374  1.00  0.00           H  
HETATM   23  H2  UNL     1       4.266   2.155   0.485  1.00  0.00           H  
HETATM   24  HA  UNL     1       4.584  -0.737   0.963  1.00  0.00           H  
HETATM   25  H   UNL     1       2.523   0.865  -0.617  1.00  0.00           H  
HETATM   26  H   UNL     1       2.682  -0.907  -0.670  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.517  -0.859  -0.077  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.165   0.449  -1.095  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.071  -0.767  -1.798  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.067   2.526  -1.504  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.310   2.369  -0.240  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.595   2.523   0.212  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.642  -1.931  -0.571  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.478  -2.989  -0.072  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.928   1.941   0.080  1.00  0.00           H  
HETATM   36  H   UNL     1       2.283  -1.017   1.774  1.00  0.00           H  
HETATM   37  H   UNL     1       2.123   0.755   1.828  1.00  0.00           H  
HETATM   38  HXT UNL     1       5.977  -1.026  -2.327  1.00  0.00           H  
CONECT    1    3    3    4   21                                       
CONECT    2    4   22   23                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   24                                       
CONECT    5    4   20   25   26                                       
CONECT    6   16   27   28   29                                       
CONECT    7   16   30   31   32                                       
CONECT    8    9    9   11   33                                       
CONECT    9    8    8   14   34                                       
CONECT   10   15   11   11   35                                       
CONECT   11    8   10   10   16                                       
CONECT   12   18   18   17   14                                       
CONECT   13   17   19   19   15                                       
CONECT   14    9   12   15   15                                       
CONECT   15   10   13   14   14                                       
CONECT   16    6    7   11                                            
CONECT   17   12   13   20                                            
CONECT   18   12   12                                                 
CONECT   19   13   13                                                 
CONECT   20    5   17   36   37                                       
CONECT   21    1   38                                                 
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
