COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.652  -1.485   0.956  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.486  -0.506  -0.238  1.00  0.00           C  
HETATM    3  N   UNL     1       4.186  -1.576  -1.579  1.00  0.00           N  
HETATM    4  C   UNL     1       3.215  -0.972  -0.798  1.00  0.00           C  
HETATM    5  N   UNL     1       2.942   0.293  -0.795  1.00  0.00           N  
HETATM    6  CA  UNL     1       1.968   0.699   0.026  1.00  0.00           C  
HETATM    7  C   UNL     1       1.557   2.106   0.127  1.00  0.00           C  
HETATM    8  O   UNL     1       0.665   2.426   0.889  1.00  0.00           O  
HETATM    9  OXT UNL     1       2.169   3.044  -0.624  1.00  0.00           O  
HETATM   10  C   UNL     1       1.390  -0.281   0.755  1.00  0.00           C  
HETATM   11  C   UNL     1       0.274  -0.099   1.751  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.053  -0.242   1.051  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.866  -1.620   0.310  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.681  -0.636  -0.873  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.261   0.553  -1.413  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.886   0.740  -0.136  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.669   0.869   0.506  1.00  0.00           C  
HETATM   18  S   UNL     1       2.160  -1.809   0.335  1.00  0.00           S  
HETATM   19  H   UNL     1      -1.169  -2.351   1.382  1.00  0.00           H  
HETATM   20  H   UNL     1       4.326  -2.534  -1.524  1.00  0.00           H  
HETATM   21  H   UNL     1       4.727  -1.041  -2.180  1.00  0.00           H  
HETATM   22  HXT UNL     1       1.864   3.956  -0.523  1.00  0.00           H  
HETATM   23  H   UNL     1       0.357  -0.855   2.532  1.00  0.00           H  
HETATM   24  H   UNL     1       0.344   0.893   2.198  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.331  -2.591   0.231  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.584   0.986  -2.149  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.209   0.309  -1.892  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.433   1.270  -0.611  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.367   1.608  -0.562  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.201   1.839   0.586  1.00  0.00           H  
CONECT    1   13   13   12   19                                       
CONECT    2   14   16   16   13                                       
CONECT    3    4   20   21                                            
CONECT    4    3   18    5    5                                       
CONECT    5    4    4    6                                            
CONECT    6    5   10   10    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   22                                                 
CONECT   10   18    6    6   11                                       
CONECT   11   10   12   23   24                                       
CONECT   12   17   17    1   11                                       
CONECT   13    2    1    1   25                                       
CONECT   14   15    2                                                 
CONECT   15   14   26   27   28                                       
CONECT   16    2    2   17   29                                       
CONECT   17   16   12   12   30                                       
CONECT   18    4   10                                                 
CONECT   19    1                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    9                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
