COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.307  -1.242   1.120  1.00  0.00           C  
HETATM    2  C   UNL     1       4.340  -0.680   0.401  1.00  0.00           C  
HETATM    3  C   UNL     1       4.676   0.329  -0.679  1.00  0.00           C  
HETATM    4  C   UNL     1       1.889   0.747  -0.677  1.00  0.00           C  
HETATM    5  CA  UNL     1       0.726   1.654  -0.270  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.560   1.271   0.482  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.800   0.460   0.512  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.050   2.530   2.407  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.851  -0.839  -0.193  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.918  -1.659  -0.119  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.007  -2.434  -1.521  1.00  0.00           C  
HETATM   12  C   UNL     1       0.621   2.802  -1.241  1.00  0.00           C  
HETATM   13  CA  UNL     1       2.936  -1.035   0.641  1.00  0.00           C  
HETATM   14  C   UNL     1       2.681  -2.226   1.495  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.521   0.885  -0.286  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.845   0.891   1.160  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.080  -3.055  -2.342  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.848  -1.281  -0.952  1.00  0.00           N  
HETATM   19  N   UNL     1       1.914  -0.421   0.189  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.480   2.283   1.149  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.841   2.189   1.726  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.392   2.962  -1.880  1.00  0.00           O  
HETATM   23  OXT UNL     1       1.652   3.647  -1.395  1.00  0.00           O  
HETATM   24  O   UNL     1       3.606  -2.922   1.858  1.00  0.00           O  
HETATM   25  OXT UNL     1       1.423  -2.532   1.864  1.00  0.00           O  
HETATM   26  S   UNL     1       3.450   1.671  -0.541  1.00  0.00           S  
HETATM   27  S   UNL     1      -3.584  -3.090  -1.092  1.00  0.00           S  
HETATM   28  H   UNL     1       5.060  -1.836   1.987  1.00  0.00           H  
HETATM   29  H   UNL     1       6.340  -1.107   0.835  1.00  0.00           H  
HETATM   30  H   UNL     1       5.680   0.723  -0.522  1.00  0.00           H  
HETATM   31  H   UNL     1       4.609  -0.140  -1.661  1.00  0.00           H  
HETATM   32  H   UNL     1       1.753   0.427  -1.710  1.00  0.00           H  
HETATM   33  HA  UNL     1       0.901   2.042   0.733  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.220   1.824   3.220  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.967   3.538   2.812  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.885   2.487   1.708  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.823  -1.472   0.440  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.600   0.099  -0.849  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.232  -2.623  -2.530  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.279  -3.922  -2.729  1.00  0.00           H  
HETATM   41  HXT UNL     1       1.538   4.368  -2.030  1.00  0.00           H  
HETATM   42  HXT UNL     1       1.307  -3.316   2.419  1.00  0.00           H  
CONECT    1    2    2   28   29                                       
CONECT    2    3    1    1   13                                       
CONECT    3   26    2   30   31                                       
CONECT    4   26    5   19   32                                       
CONECT    5   15    4   12   33                                       
CONECT    6    7   20   20   15                                       
CONECT    7   16   16    9    6                                       
CONECT    8   21   34   35   36                                       
CONECT    9   18    7   10   10                                       
CONECT   10    9    9   27   37                                       
CONECT   11   17   18   18   27                                       
CONECT   12    5   22   22   23                                       
CONECT   13    2   19   19   14                                       
CONECT   14   13   24   24   25                                       
CONECT   15    6    5   38                                            
CONECT   16   21    7    7                                            
CONECT   17   11   39   40                                            
CONECT   18   11   11    9                                            
CONECT   19    4   13   13                                            
CONECT   20    6    6                                                 
CONECT   21    8   16                                                 
CONECT   22   12   12                                                 
CONECT   23   12   41                                                 
CONECT   24   14   14                                                 
CONECT   25   14   42                                                 
CONECT   26    3    4                                                 
CONECT   27   11   10                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
