COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.893   1.009   1.831  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.848   0.438   0.758  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.716   0.463   0.028  1.00  0.00           N  
HETATM    4  CA  UNL     1       0.461   1.179   0.526  1.00  0.00           C  
HETATM    5  C   UNL     1       1.724   0.581  -0.096  1.00  0.00           C  
HETATM    6  S   UNL     1       3.241   1.340   0.619  1.00  0.00           S  
HETATM    7  C   UNL     1       4.304  -0.129   0.327  1.00  0.00           C  
HETATM    8  C   UNL     1       5.162   0.067  -0.925  1.00  0.00           C  
HETATM    9  C   UNL     1       5.187  -0.406   1.545  1.00  0.00           C  
HETATM   10  CA  UNL     1       3.290  -1.271   0.121  1.00  0.00           C  
HETATM   11  C   UNL     1       3.441  -1.809  -1.279  1.00  0.00           C  
HETATM   12  O   UNL     1       2.672  -1.464  -2.145  1.00  0.00           O  
HETATM   13  OXT UNL     1       4.431  -2.670  -1.564  1.00  0.00           O  
HETATM   14  N   UNL     1       1.902  -0.841   0.311  1.00  0.00           N  
HETATM   15  C   UNL     1       0.359   2.636   0.153  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.301   2.969  -0.803  1.00  0.00           O  
HETATM   17  OXT UNL     1       1.000   3.562   0.882  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.029  -0.287   0.260  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.981   0.373  -0.532  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.817   1.683  -0.842  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.827   2.289  -1.653  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.088  -0.319  -0.996  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.257  -1.654  -0.681  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.325  -2.314   0.099  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.208  -1.643   0.569  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.292  -2.294   1.329  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.540  -3.675   1.603  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.680   0.008  -0.828  1.00  0.00           H  
HETATM   29  HA  UNL     1       0.511   1.085   1.611  1.00  0.00           H  
HETATM   30  H   UNL     1       1.709   0.680  -1.182  1.00  0.00           H  
HETATM   31  H   UNL     1       5.816   0.927  -0.786  1.00  0.00           H  
HETATM   32  H   UNL     1       5.765  -0.825  -1.095  1.00  0.00           H  
HETATM   33  H   UNL     1       4.515   0.237  -1.786  1.00  0.00           H  
HETATM   34  H   UNL     1       4.558  -0.568   2.421  1.00  0.00           H  
HETATM   35  H   UNL     1       5.790  -1.295   1.362  1.00  0.00           H  
HETATM   36  H   UNL     1       5.842   0.447   1.721  1.00  0.00           H  
HETATM   37  HA  UNL     1       3.511  -2.069   0.829  1.00  0.00           H  
HETATM   38  HXT UNL     1       4.488  -2.987  -2.475  1.00  0.00           H  
HETATM   39  H   UNL     1       1.607  -0.983   1.266  1.00  0.00           H  
HETATM   40  HXT UNL     1       0.904   4.484   0.604  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.788   2.227  -1.142  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.574   3.335  -1.826  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.888   1.767  -2.607  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.822   0.188  -1.605  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.123  -2.186  -1.046  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.467  -3.357   0.340  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.589  -4.228   0.665  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.734  -4.074   2.219  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.487  -3.776   2.134  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   18                                       
CONECT    3    4    2   28                                            
CONECT    4    5   15    3   29                                       
CONECT    5   14    4    6   30                                       
CONECT    6    5    7                                                 
CONECT    7   10    8    6    9                                       
CONECT    8    7   31   32   33                                       
CONECT    9    7   34   35   36                                       
CONECT   10   14   11    7   37                                       
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   38                                                 
CONECT   14    5   10   39                                            
CONECT   15   16   16    4   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   40                                                 
CONECT   18    2   25   25   19                                       
CONECT   19   18   20   22   22                                       
CONECT   20   19   21                                                 
CONECT   21   20   41   42   43                                       
CONECT   22   19   19   23   44                                       
CONECT   23   24   24   22   45                                       
CONECT   24   25   23   23   46                                       
CONECT   25   26   18   18   24                                       
CONECT   26   27   25                                                 
CONECT   27   26   47   48   49                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
