COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.766  -1.328   1.246  1.00  0.00           S  
HETATM    2  C   UNL     1       2.549  -1.281   1.015  1.00  0.00           C  
HETATM    3  C   UNL     1       3.003  -0.114   0.203  1.00  0.00           C  
HETATM    4  CA  UNL     1       2.371   1.039   0.015  1.00  0.00           C  
HETATM    5  N   UNL     1       1.109   1.230   0.593  1.00  0.00           N  
HETATM    6  C   UNL     1       0.485   0.420   1.675  1.00  0.00           C  
HETATM    7  CA  UNL     1      -0.868   0.992   1.288  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.008   1.937   0.480  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.255   2.984  -0.080  1.00  0.00           O  
HETATM   10  C   UNL     1       4.332  -0.263  -0.490  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.698   0.092   0.485  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.040   0.224   0.495  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.559   1.088   1.169  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.894  -0.703  -0.331  1.00  0.00           C  
HETATM   15  C   UNL     1       6.175  -1.833  -0.530  1.00  0.00           C  
HETATM   16  O   UNL     1       6.822  -1.019  -1.146  1.00  0.00           O  
HETATM   17  O   UNL     1       4.936  -1.528  -0.111  1.00  0.00           O  
HETATM   18  C   UNL     1       6.758  -3.190  -0.233  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.369  -0.341  -0.142  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.236  -1.282  -0.980  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.689  -0.926  -0.794  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.639  -1.622  -1.438  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.998  -0.013  -0.065  1.00  0.00           O  
HETATM   24  C   UNL     1       2.991   2.106  -0.791  1.00  0.00           C  
HETATM   25  O   UNL     1       4.147   1.872  -1.444  1.00  0.00           O  
HETATM   26  OXT UNL     1       2.460   3.196  -0.868  1.00  0.00           O  
HETATM   27  H   UNL     1       2.865  -2.203   0.527  1.00  0.00           H  
HETATM   28  H   UNL     1       3.029  -1.219   1.991  1.00  0.00           H  
HETATM   29  H   UNL     1       0.812   0.680   2.682  1.00  0.00           H  
HETATM   30  HA  UNL     1      -1.408   1.465   2.108  1.00  0.00           H  
HETATM   31  H   UNL     1       4.989   0.556  -0.197  1.00  0.00           H  
HETATM   32  H   UNL     1       4.184  -0.241  -1.570  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.283  -0.600  -0.054  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.627  -0.602  -1.383  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.728  -1.732  -0.012  1.00  0.00           H  
HETATM   36  H   UNL     1       7.359  -3.136   0.675  1.00  0.00           H  
HETATM   37  H   UNL     1       5.951  -3.909  -0.092  1.00  0.00           H  
HETATM   38  H   UNL     1       7.385  -3.507  -1.066  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.635  -0.442   0.910  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.534   0.687  -0.462  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.970  -1.181  -2.033  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.071  -2.311  -0.661  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.570  -1.394  -1.318  1.00  0.00           H  
HETATM   44  H   UNL     1       4.591   2.592  -1.913  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   27   28                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6    8                                            
CONECT    6    1    5    7   29                                       
CONECT    7    6    8   11   30                                       
CONECT    8    5    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    3   17   31   32                                       
CONECT   11    7   12   33                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   19   34   35                                       
CONECT   15   16   16   17   18                                       
CONECT   16   15   15                                                 
CONECT   17   10   15                                                 
CONECT   18   15   36   37   38                                       
CONECT   19   14   20   39   40                                       
CONECT   20   19   21   41   42                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   43                                                 
CONECT   23   21   21                                                 
CONECT   24    4   25   26   26                                       
CONECT   25   24   44                                                 
CONECT   26   24   24                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
