COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.229  -1.056   1.262  1.00  0.00           N  
HETATM    2  CA  UNL     1      -2.200   0.193   0.489  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.608   0.600   0.139  1.00  0.00           C  
HETATM    4  OXT UNL     1      -3.874   1.872  -0.199  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.397  -0.021  -0.796  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.497  -0.217   0.164  1.00  0.00           O  
HETATM    7  C   UNL     1       3.186   1.056   0.510  1.00  0.00           C  
HETATM    8  C   UNL     1       0.726   1.937  -0.108  1.00  0.00           C  
HETATM    9  C   UNL     1       2.155  -0.013   0.169  1.00  0.00           C  
HETATM   10  C   UNL     1       0.927   0.426  -0.139  1.00  0.00           C  
HETATM   11  C   UNL     1       2.400  -1.421   0.157  1.00  0.00           C  
HETATM   12  C   UNL     1       0.193  -1.813  -0.465  1.00  0.00           C  
HETATM   13  N   UNL     1       1.418  -2.280  -0.158  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.053  -0.496  -0.458  1.00  0.00           N  
HETATM   15  O   UNL     1       3.508  -1.844   0.434  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.696  -2.591  -0.750  1.00  0.00           O  
HETATM   17  S   UNL     1       2.438   2.591  -0.157  1.00  0.00           S  
HETATM   18  H1  UNL     1      -2.675  -0.917   2.157  1.00  0.00           H  
HETATM   19  H2  UNL     1      -2.682  -1.792   0.743  1.00  0.00           H  
HETATM   20  HA  UNL     1      -1.732   0.978   1.083  1.00  0.00           H  
HETATM   21  HXT UNL     1      -4.792   2.085  -0.415  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.899  -0.762  -1.418  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.324   0.920  -1.339  1.00  0.00           H  
HETATM   24  H   UNL     1       3.320   1.131   1.589  1.00  0.00           H  
HETATM   25  H   UNL     1       4.135   0.845   0.017  1.00  0.00           H  
HETATM   26  H   UNL     1       0.163   2.268  -0.980  1.00  0.00           H  
HETATM   27  H   UNL     1       0.225   2.239   0.812  1.00  0.00           H  
HETATM   28  H   UNL     1       1.590  -3.235  -0.165  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    5    3    1   20                                       
CONECT    3    6    6    2    4                                       
CONECT    4    3   21                                                 
CONECT    5   14    2   22   23                                       
CONECT    6    3    3                                                 
CONECT    7    9   17   24   25                                       
CONECT    8   10   17   26   27                                       
CONECT    9    7   10   10   11                                       
CONECT   10    8    9    9   14                                       
CONECT   11    9   15   15   13                                       
CONECT   12   14   13   16   16                                       
CONECT   13   11   12   28                                            
CONECT   14   10    5   12                                            
CONECT   15   11   11                                                 
CONECT   16   12   12                                                 
CONECT   17    7    8                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28   13                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
