COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.351   0.613  -1.341  1.00  0.00           C  
HETATM    2  N   UNL     1       6.153  -0.132  -0.948  1.00  0.00           N  
HETATM    3  C   UNL     1       5.862  -1.430  -1.563  1.00  0.00           C  
HETATM    4  C   UNL     1       5.317   0.375  -0.020  1.00  0.00           C  
HETATM    5  O   UNL     1       5.558   1.450   0.489  1.00  0.00           O  
HETATM    6  C   UNL     1       4.084  -0.391   0.384  1.00  0.00           C  
HETATM    7  C   UNL     1       2.965  -0.171  -0.655  1.00  0.00           C  
HETATM    8  N   UNL     1       3.584   0.110   1.677  1.00  0.00           N  
HETATM    9  C   UNL     1       2.221   0.648   1.478  1.00  0.00           C  
HETATM   10  C   UNL     1       1.688  -0.081   0.220  1.00  0.00           C  
HETATM   11  S   UNL     1       0.403   0.899  -0.604  1.00  0.00           S  
HETATM   12  C   UNL     1      -1.015   0.736   0.516  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.209   1.582   0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.033   2.129   1.174  1.00  0.00           C  
HETATM   15  CA  UNL     1      -1.542  -0.682   0.503  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.907  -1.817   1.214  1.00  0.00           C  
HETATM   17  OXT UNL     1       0.105  -1.639   1.860  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.452  -3.046   1.143  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.602  -0.773  -0.196  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.002   0.516  -0.785  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.507   0.735  -0.613  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.270  -0.269  -1.479  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.890  -0.069  -2.947  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.933  -1.598  -1.076  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.881   0.538   0.833  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.503   1.393   1.418  1.00  0.00           O  
HETATM   27  H   UNL     1       7.113   1.268  -2.179  1.00  0.00           H  
HETATM   28  H   UNL     1       7.699   1.211  -0.499  1.00  0.00           H  
HETATM   29  H   UNL     1       8.132  -0.087  -1.638  1.00  0.00           H  
HETATM   30  H   UNL     1       6.326  -2.223  -0.976  1.00  0.00           H  
HETATM   31  H   UNL     1       4.783  -1.584  -1.594  1.00  0.00           H  
HETATM   32  H   UNL     1       6.261  -1.449  -2.578  1.00  0.00           H  
HETATM   33  H   UNL     1       4.317  -1.453   0.463  1.00  0.00           H  
HETATM   34  H   UNL     1       3.124   0.758  -1.202  1.00  0.00           H  
HETATM   35  H   UNL     1       2.904  -1.017  -1.340  1.00  0.00           H  
HETATM   36  H   UNL     1       3.586  -0.621   2.373  1.00  0.00           H  
HETATM   37  H   UNL     1       1.595   0.424   2.342  1.00  0.00           H  
HETATM   38  H   UNL     1       2.260   1.724   1.307  1.00  0.00           H  
HETATM   39  H   UNL     1       1.317  -1.075   0.473  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.739   1.033   1.528  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.871   2.387  -0.644  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.441   2.858   1.728  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.933   2.609   0.789  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.314   1.311   1.837  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.002  -3.755   1.622  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.732   0.551  -1.840  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.764   1.749  -0.920  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.342  -0.113  -1.357  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.147   0.945  -3.254  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.818  -0.225  -3.070  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.434  -0.785  -3.564  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.381  -2.289  -1.584  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.594  -0.367   1.347  1.00  0.00           H  
CONECT    1   27   28   29    2                                       
CONECT    2    1    3    4                                            
CONECT    3    2   30   31   32                                       
CONECT    4    2    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    4    8   33    7                                       
CONECT    7    6   10   34   35                                       
CONECT    8    6   36    9                                            
CONECT    9    8   37   38   10                                       
CONECT   10    7    9   39   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   40   13   15                                       
CONECT   13   12   14   41   20                                       
CONECT   14   13   42   43   44                                       
CONECT   15   12   16   19   19                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16   45                                                 
CONECT   19   15   15   20                                            
CONECT   20   19   13   21   46                                       
CONECT   21   20   47   22   25                                       
CONECT   22   21   23   48   24                                       
CONECT   23   22   49   50   51                                       
CONECT   24   22   52                                                 
CONECT   25   21   26   26   53                                       
CONECT   26   25   25                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
