COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       2.254  -1.691  -0.003  1.00  0.00           N  
HETATM    2  C   UNL     1       2.776  -0.491   0.117  1.00  0.00           C  
HETATM    3  S   UNL     1       4.493  -0.101   0.194  1.00  0.00           S  
HETATM    4  N   UNL     1       1.740   0.398   0.171  1.00  0.00           N  
HETATM    5  C   UNL     1       1.829   1.854   0.303  1.00  0.00           C  
HETATM    6  C   UNL     1       1.895   2.489  -1.088  1.00  0.00           C  
HETATM    7  C   UNL     1       0.596  -0.360   0.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.795   0.142   0.085  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.163   1.404   0.188  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.563   1.452   0.158  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.382   2.663   0.245  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.026   0.189   0.035  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.474  -0.221  -0.038  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.962  -0.643  -0.019  1.00  0.00           C  
HETATM   15 CL   UNL     1      -2.022  -2.370  -0.182  1.00  0.00          Cl  
HETATM   16  N   UNL     1       0.972  -1.614  -0.028  1.00  0.00           N  
HETATM   17  H   UNL     1       0.950   2.225   0.830  1.00  0.00           H  
HETATM   18  H   UNL     1       2.726   2.114   0.864  1.00  0.00           H  
HETATM   19  H   UNL     1       2.774   2.118  -1.615  1.00  0.00           H  
HETATM   20  H   UNL     1       0.998   2.229  -1.649  1.00  0.00           H  
HETATM   21  H   UNL     1       1.961   3.572  -0.990  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.560   3.054  -0.757  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.336   2.424   0.716  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.861   3.413   0.840  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.798  -0.229  -1.079  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.592  -1.217   0.387  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.081   0.488   0.525  1.00  0.00           H  
HETATM   28  H   UNL     1       4.765   0.076  -1.178  1.00  0.00           H  
CONECT    1    2    2   16                                            
CONECT    2    3    1    1    4                                       
CONECT    3    2   28                                                 
CONECT    4    2    5    7                                            
CONECT    5    6    4   17   18                                       
CONECT    6    5   19   20   21                                       
CONECT    7    4   16   16    8                                       
CONECT    8    7   14    9    9                                       
CONECT    9    8    8   10                                            
CONECT   10   12    9   11                                            
CONECT   11   10   22   23   24                                       
CONECT   12   14   14   13   10                                       
CONECT   13   12   25   26   27                                       
CONECT   14   15    8   12   12                                       
CONECT   15   14                                                      
CONECT   16    1    7    7                                            
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22   11                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28    3                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
