COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.898  -2.627  -0.872  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.820  -1.388   1.004  1.00  0.00           N  
HETATM    3  O   UNL     1      -4.941  -3.605  -0.164  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.347   2.309   2.962  1.00  0.00           C  
HETATM    5  N   UNL     1       6.073  -1.351   0.479  1.00  0.00           N  
HETATM    6  C   UNL     1       5.859  -0.049   0.426  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.905   2.699   1.550  1.00  0.00           C  
HETATM    8  N   UNL     1       4.652   0.465   0.325  1.00  0.00           N  
HETATM    9  C   UNL     1       3.582  -0.322   0.271  1.00  0.00           C  
HETATM   10  C   UNL     1       3.757  -1.715   0.324  1.00  0.00           C  
HETATM   11  C   UNL     1       5.065  -2.216   0.432  1.00  0.00           C  
HETATM   12  N   UNL     1       5.299  -3.579   0.489  1.00  0.00           N  
HETATM   13  N   UNL     1       2.525  -2.275   0.253  1.00  0.00           N  
HETATM   14  C   UNL     1       1.628  -1.336   0.162  1.00  0.00           C  
HETATM   15  N   UNL     1       2.230  -0.114   0.169  1.00  0.00           N  
HETATM   16  C   UNL     1       1.557   1.185   0.084  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.716   1.485   0.744  1.00  0.00           N  
HETATM   18  C   UNL     1       1.472   1.660  -1.389  1.00  0.00           C  
HETATM   19  O   UNL     1       2.658   2.361  -1.768  1.00  0.00           O  
HETATM   20  C   UNL     1       0.254   2.615  -1.352  1.00  0.00           C  
HETATM   21  O   UNL     1       0.686   3.972  -1.236  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.523   2.187  -0.092  1.00  0.00           C  
HETATM   23  O   UNL     1       0.175   1.068   0.484  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.947   1.777  -0.473  1.00  0.00           C  
HETATM   25  OXT UNL     1      -4.655  -2.760  -2.186  1.00  0.00           O  
HETATM   26  CA  UNL     1      -5.123  -1.259  -0.283  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.774  -0.570  -0.064  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.006   0.864   0.417  1.00  0.00           C  
HETATM   29  H1  UNL     1      -6.741  -1.782   0.878  1.00  0.00           H  
HETATM   30  H2  UNL     1      -5.278  -1.936   1.655  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.330   1.840   2.919  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.629   1.609   3.388  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.398   3.201   3.586  1.00  0.00           H  
HETATM   34  H   UNL     1       6.707   0.619   0.467  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.670   3.325   1.090  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.967   3.250   1.603  1.00  0.00           H  
HETATM   37  H   UNL     1       4.555  -4.201   0.454  1.00  0.00           H  
HETATM   38  H   UNL     1       6.207  -3.913   0.563  1.00  0.00           H  
HETATM   39  H   UNL     1       0.563  -1.502   0.091  1.00  0.00           H  
HETATM   40  H   UNL     1       2.073   1.924   0.697  1.00  0.00           H  
HETATM   41  H   UNL     1       1.288   0.820  -2.058  1.00  0.00           H  
HETATM   42  H   UNL     1       2.652   2.678  -2.681  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.360   2.485  -2.243  1.00  0.00           H  
HETATM   44  H   UNL     1       1.229   4.276  -1.975  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.553   3.009   0.623  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.913   0.888  -1.103  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.426   2.590  -1.019  1.00  0.00           H  
HETATM   48  HXT UNL     1      -4.517  -3.658  -2.518  1.00  0.00           H  
HETATM   49  HA  UNL     1      -5.728  -0.664  -0.966  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.204  -1.117   0.686  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.219  -0.553  -1.002  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.639   0.852   1.304  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.495   1.437  -0.371  1.00  0.00           H  
CONECT    1    3    3   25   26                                       
CONECT    2   26   29   30                                            
CONECT    3    1    1                                                 
CONECT    4    7   31   32   33                                       
CONECT    5   11   11    6                                            
CONECT    6    5    8    8   34                                       
CONECT    7    4   17   35   36                                       
CONECT    8    6    6    9                                            
CONECT    9    8   15   10   10                                       
CONECT   10    9    9   13   11                                       
CONECT   11    5    5   10   12                                       
CONECT   12   11   37   38                                            
CONECT   13   10   14   14                                            
CONECT   14   13   13   15   39                                       
CONECT   15    9   14   16                                            
CONECT   16   15   23   18   40                                       
CONECT   17    7   28   24                                            
CONECT   18   16   20   19   41                                       
CONECT   19   18   42                                                 
CONECT   20   18   22   21   43                                       
CONECT   21   20   44                                                 
CONECT   22   20   24   23   45                                       
CONECT   23   16   22                                                 
CONECT   24   17   22   46   47                                       
CONECT   25    1   48                                                 
CONECT   26    1    2   27   49                                       
CONECT   27   26   28   50   51                                       
CONECT   28   17   27   52   53                                       
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
