COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       3.500   0.594  -0.355  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.322  -1.252  -0.105  1.00  0.00           C  
HETATM    3  C   UNL     1       0.671  -2.241   0.254  1.00  0.00           C  
HETATM    4  C   UNL     1       5.005   2.045   0.841  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.806   0.465  -1.125  1.00  0.00           C  
HETATM    6  C   UNL     1       1.061   0.184  -0.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.156   0.377   0.092  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.986   1.509   0.867  1.00  0.00           C  
HETATM    9  C   UNL     1       2.607   1.718   1.698  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.464   2.728   0.425  1.00  0.00           C  
HETATM   11  C   UNL     1       3.656   1.394   0.674  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.113   2.816  -0.792  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.283   1.684  -1.568  1.00  0.00           C  
HETATM   14  CA  UNL     1      -3.634  -0.952   0.574  1.00  0.00           C  
HETATM   15  CA  UNL     1       0.089  -0.974  -0.317  1.00  0.00           C  
HETATM   16  C   UNL     1       4.665   0.437  -1.246  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.605  -2.006   0.250  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.186  -0.682   0.342  1.00  0.00           N  
HETATM   19  N   UNL     1       2.362  -0.126  -0.695  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.289  -2.007  -1.053  1.00  0.00           O  
HETATM   21  O   UNL     1       0.082  -2.839   1.122  1.00  0.00           O  
HETATM   22  O   UNL     1       4.808   1.181  -2.195  1.00  0.00           O  
HETATM   23  OXT UNL     1       5.571  -0.532  -1.006  1.00  0.00           O  
HETATM   24  S   UNL     1       1.346   0.405   1.703  1.00  0.00           S  
HETATM   25  H   UNL     1       5.050   2.949   0.234  1.00  0.00           H  
HETATM   26  H   UNL     1       5.156   2.303   1.889  1.00  0.00           H  
HETATM   27  H   UNL     1       5.784   1.353   0.521  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.934  -0.419  -1.733  1.00  0.00           H  
HETATM   29  H   UNL     1       0.657   1.102  -0.511  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.479   1.441   1.818  1.00  0.00           H  
HETATM   31  H   UNL     1       3.068   1.776   2.684  1.00  0.00           H  
HETATM   32  H   UNL     1       2.145   2.675   1.456  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.332   3.612   1.031  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.488   3.768  -1.138  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.786   1.753  -2.521  1.00  0.00           H  
HETATM   36  HA  UNL     1      -3.484  -0.914   1.653  1.00  0.00           H  
HETATM   37  HA  UNL     1      -0.076  -1.100  -1.387  1.00  0.00           H  
HETATM   38  H1  UNL     1      -4.761  -2.061  -0.745  1.00  0.00           H  
HETATM   39  H2  UNL     1      -4.308  -2.897   0.620  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.212  -0.078   1.101  1.00  0.00           H  
HETATM   41  H   UNL     1       2.426  -0.843  -1.345  1.00  0.00           H  
HETATM   42  HXT UNL     1       6.317  -0.595  -1.618  1.00  0.00           H  
HETATM   43  OXT UNL     1       1.845  -2.706  -0.203  1.00  0.00           O  
HETATM   44  HXT UNL     1       2.178  -3.522   0.194  1.00  0.00           H  
CONECT    1   19   11   11   16                                       
CONECT    2   14   20   20   18                                       
CONECT    3   21   21   15   43                                       
CONECT    4   11   25   26   27                                       
CONECT    5    7   13   13   28                                       
CONECT    6   15   24   19   29                                       
CONECT    7   14    8    8    5                                       
CONECT    8    7    7   10   30                                       
CONECT    9   24   11   31   32                                       
CONECT   10    8   12   12   33                                       
CONECT   11    9    1    1    4                                       
CONECT   12   10   10   13   34                                       
CONECT   13    5    5   12   35                                       
CONECT   14   17    2    7   36                                       
CONECT   15   18    3    6   37                                       
CONECT   16    1   22   22   23                                       
CONECT   17   14   38   39                                            
CONECT   18    2   15   40                                            
CONECT   19    6    1   41                                            
CONECT   20    2    2                                                 
CONECT   21    3    3                                                 
CONECT   22   16   16                                                 
CONECT   23   16   42                                                 
CONECT   24    6    9                                                 
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43    3   44                                                 
CONECT   44   43                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
