COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.479   1.418  -0.644  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.167   0.085  -0.411  1.00  0.00           C  
HETATM    3  C   UNL     1       0.152   0.374   0.035  1.00  0.00           C  
HETATM    4  N   UNL     1       1.436   0.012  -0.155  1.00  0.00           N  
HETATM    5  C   UNL     1       2.516   0.803   0.439  1.00  0.00           C  
HETATM    6  C   UNL     1       3.845   0.190   0.078  1.00  0.00           C  
HETATM    7  C   UNL     1       4.580   0.489  -1.009  1.00  0.00           C  
HETATM    8  C   UNL     1       5.741  -0.315  -0.951  1.00  0.00           C  
HETATM    9  C   UNL     1       5.647  -1.057   0.167  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.217   1.759   0.971  1.00  0.00           S  
HETATM   11  N   UNL     1      -0.842  -0.354  -0.512  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.788   1.847  -0.544  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.789   0.951  -0.216  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.483  -0.378   0.012  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.174  -0.813  -0.077  1.00  0.00           C  
HETATM   16 CL   UNL     1      -2.790  -2.481   0.215  1.00  0.00          Cl  
HETATM   17  O   UNL     1       4.499  -0.742   0.789  1.00  0.00           O  
HETATM   18  H   UNL     1      -1.698   2.119  -0.900  1.00  0.00           H  
HETATM   19  H   UNL     1       1.645  -0.773  -0.686  1.00  0.00           H  
HETATM   20  H   UNL     1       2.471   1.823   0.058  1.00  0.00           H  
HETATM   21  H   UNL     1       2.404   0.815   1.523  1.00  0.00           H  
HETATM   22  H   UNL     1       4.330   1.205  -1.778  1.00  0.00           H  
HETATM   23  H   UNL     1       6.549  -0.331  -1.668  1.00  0.00           H  
HETATM   24  H   UNL     1       6.373  -1.780   0.509  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.639  -1.181  -0.975  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.030   2.885  -0.721  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.811   1.290  -0.138  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.267  -1.076   0.268  1.00  0.00           H  
CONECT    1    2   12   12   18                                       
CONECT    2   11   15   15    1                                       
CONECT    3   10   10    4   11                                       
CONECT    4    3    5   19                                            
CONECT    5    4    6   20   21                                       
CONECT    6   17    5    7    7                                       
CONECT    7    6    6    8   22                                       
CONECT    8    9    9    7   23                                       
CONECT    9   17    8    8   24                                       
CONECT   10    3    3                                                 
CONECT   11    3    2   25                                            
CONECT   12    1    1   13   26                                       
CONECT   13   14   14   12   27                                       
CONECT   14   15   13   13   28                                       
CONECT   15   16    2    2   14                                       
CONECT   16   15                                                      
CONECT   17    6    9                                                 
CONECT   18    1                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
