COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.708   1.305   1.447  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.948   0.918   1.244  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.758   0.041   0.005  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.315  -0.382  -0.095  1.00  0.00           C  
HETATM    5  C   UNL     1       0.678   0.573  -0.201  1.00  0.00           C  
HETATM    6  C   UNL     1       2.007   0.182  -0.299  1.00  0.00           C  
HETATM    7  C   UNL     1       0.015  -1.725  -0.076  1.00  0.00           C  
HETATM    8  C   UNL     1       1.339  -2.117  -0.168  1.00  0.00           C  
HETATM    9  C   UNL     1       2.335  -1.167  -0.280  1.00  0.00           C  
HETATM   10  N   UNL     1       3.014   1.147  -0.412  1.00  0.00           N  
HETATM   11  C   UNL     1       4.194   0.994   0.280  1.00  0.00           C  
HETATM   12  N   UNL     1       5.175   1.831   0.090  1.00  0.00           N  
HETATM   13  N   UNL     1       4.338  -0.042   1.173  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.139   0.822  -1.226  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.323   1.015  -2.096  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.386   1.302  -1.357  1.00  0.00           O  
HETATM   17 CL   UNL     1      -1.235  -2.922   0.065  1.00  0.00          Cl  
HETATM   18  H   UNL     1      -3.655   2.060   2.559  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.589   0.385   2.125  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.384   1.843   1.124  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.391  -0.843   0.085  1.00  0.00           H  
HETATM   22  H   UNL     1       0.420   1.621  -0.216  1.00  0.00           H  
HETATM   23  H   UNL     1       1.593  -3.167  -0.153  1.00  0.00           H  
HETATM   24  H   UNL     1       3.368  -1.473  -0.352  1.00  0.00           H  
HETATM   25  H   UNL     1       2.881   1.924  -0.978  1.00  0.00           H  
HETATM   26  H   UNL     1       5.104   2.513  -0.597  1.00  0.00           H  
HETATM   27  H   UNL     1       5.170  -0.150   1.660  1.00  0.00           H  
HETATM   28  H   UNL     1       3.607  -0.663   1.317  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.630   1.804  -2.147  1.00  0.00           H  
CONECT    1    2   18                                                 
CONECT    2    1    3   19   20                                       
CONECT    3    2    4   14   21                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   22                                       
CONECT    6    5    9    9   10                                       
CONECT    7    4    8    8   17                                       
CONECT    8    7    7    9   23                                       
CONECT    9    6    6    8   24                                       
CONECT   10    6   11   25                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   26                                            
CONECT   13   11   27   28                                            
CONECT   14    3   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   29                                                 
CONECT   17    7                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
