COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.893   0.370   0.924  1.00  0.00           O  
HETATM    2  C   UNL     1       5.127  -0.419   0.154  1.00  0.00           C  
HETATM    3  OXT UNL     1       5.406  -1.587   0.019  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.917   0.152  -0.540  1.00  0.00           C  
HETATM    5  N   UNL     1       3.536  -0.723  -1.657  1.00  0.00           N  
HETATM    6  C   UNL     1       2.757   0.248   0.452  1.00  0.00           C  
HETATM    7  C   UNL     1       1.569   0.941  -0.218  1.00  0.00           C  
HETATM    8  C   UNL     1       0.408   1.037   0.775  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.686   1.803   0.174  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.821   1.231  -0.065  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.806   1.913  -0.730  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.060  -0.186   0.388  1.00  0.00           C  
HETATM   13  S   UNL     1      -3.784  -0.645   0.055  1.00  0.00           S  
HETATM   14  O   UNL     1      -4.634   0.227   0.788  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.957  -0.764  -1.350  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.880  -2.300   0.791  1.00  0.00           C  
HETATM   17  H   UNL     1       6.658  -0.041   1.349  1.00  0.00           H  
HETATM   18  HA  UNL     1       4.153   1.146  -0.921  1.00  0.00           H  
HETATM   19  H1  UNL     1       3.313  -1.651  -1.329  1.00  0.00           H  
HETATM   20  H2  UNL     1       2.767  -0.329  -2.179  1.00  0.00           H  
HETATM   21  H   UNL     1       2.463  -0.754   0.766  1.00  0.00           H  
HETATM   22  H   UNL     1       3.070   0.824   1.323  1.00  0.00           H  
HETATM   23  H   UNL     1       1.862   1.943  -0.531  1.00  0.00           H  
HETATM   24  H   UNL     1       1.256   0.365  -1.089  1.00  0.00           H  
HETATM   25  H   UNL     1       0.058   0.035   1.021  1.00  0.00           H  
HETATM   26  H   UNL     1       0.746   1.537   1.682  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.652   2.825  -1.021  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.657   1.484  -0.909  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.395  -0.858  -0.154  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.864  -0.264   1.457  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.652  -2.238   1.855  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.886  -2.699   0.658  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.161  -2.957   0.303  1.00  0.00           H  
CONECT    1    2   17                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    6   18                                       
CONECT    5    4   19   20                                            
CONECT    6    4    7   21   22                                       
CONECT    7    6    8   23   24                                       
CONECT    8    7    9   25   26                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   12                                       
CONECT   11   10   27   28                                            
CONECT   12   10   13   29   30                                       
CONECT   13   12   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   31   32   33                                       
CONECT   17    1                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
