COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -4.713   2.288   0.007  1.00  0.00          Cl  
HETATM    2  N   UNL     1       2.663  -1.136  -0.078  1.00  0.00           N  
HETATM    3  C   UNL     1       1.613  -1.925  -0.026  1.00  0.00           C  
HETATM    4  N   UNL     1       1.706  -3.308   0.015  1.00  0.00           N  
HETATM    5  C   UNL     1       0.412  -1.247  -0.015  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.873  -1.831   0.037  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.068  -0.978   0.042  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.990  -3.045   0.078  1.00  0.00           O  
HETATM    9  S   UNL     1       0.767   0.477  -0.078  1.00  0.00           S  
HETATM   10  C   UNL     1       2.444   0.147  -0.112  1.00  0.00           C  
HETATM   11  N   UNL     1       3.429   1.107  -0.167  1.00  0.00           N  
HETATM   12  C   UNL     1       4.839   0.710  -0.192  1.00  0.00           C  
HETATM   13  C   UNL     1       5.707   1.940  -0.252  1.00  0.00           C  
HETATM   14  C   UNL     1       6.640   2.128   0.647  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.066   0.780  -0.014  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.770   0.830   0.029  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.285  -0.405   0.082  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.358  -1.422   0.085  1.00  0.00           C  
HETATM   19  H   UNL     1       2.576  -3.737   0.005  1.00  0.00           H  
HETATM   20  H   UNL     1       0.900  -3.847   0.053  1.00  0.00           H  
HETATM   21  H   UNL     1       3.190   2.047  -0.190  1.00  0.00           H  
HETATM   22  H   UNL     1       5.073   0.144   0.710  1.00  0.00           H  
HETATM   23  H   UNL     1       5.026   0.090  -1.069  1.00  0.00           H  
HETATM   24  H   UNL     1       5.559   2.667  -1.038  1.00  0.00           H  
HETATM   25  H   UNL     1       7.262   3.010   0.604  1.00  0.00           H  
HETATM   26  H   UNL     1       6.787   1.401   1.433  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.348  -0.589   0.116  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.625  -2.468   0.119  1.00  0.00           H  
CONECT    1   16                                                      
CONECT    2    3   10   10                                            
CONECT    3    2    4    5    5                                       
CONECT    4    3   19   20                                            
CONECT    5    3    3    6    9                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6   15   18   18                                       
CONECT    8    6    6                                                 
CONECT    9    5   10                                                 
CONECT   10    2    2    9   11                                       
CONECT   11   10   21   12                                            
CONECT   12   11   22   23   13                                       
CONECT   13   12   24   14   14                                       
CONECT   14   13   13   25   26                                       
CONECT   15    7   16                                                 
CONECT   16   15    1   17   17                                       
CONECT   17   16   16   27   18                                       
CONECT   18    7    7   17   28                                       
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21   11                                                      
CONECT   22   12                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   17                                                      
CONECT   28   18                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
