COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.995  -1.087   1.845  1.00  0.00           C  
HETATM    2  C   UNL     1       2.636  -2.350   1.413  1.00  0.00           C  
HETATM    3  C   UNL     1       2.065  -2.516   0.163  1.00  0.00           C  
HETATM    4  C   UNL     1       1.855  -1.420  -0.653  1.00  0.00           C  
HETATM    5  C   UNL     1       2.215  -0.157  -0.221  1.00  0.00           C  
HETATM    6  C   UNL     1       2.791   0.009   1.026  1.00  0.00           C  
HETATM    7  S   UNL     1       1.947   1.240  -1.260  1.00  0.00           S  
HETATM    8  O   UNL     1       3.171   1.960  -1.262  1.00  0.00           O  
HETATM    9  O   UNL     1       1.284   0.741  -2.414  1.00  0.00           O  
HETATM   10  N   UNL     1       0.849   2.220  -0.500  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.428   1.766  -0.260  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.908   0.622  -0.676  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.197   0.510  -0.254  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.175  -0.475  -0.395  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.422  -0.285   0.162  1.00  0.00           C  
HETATM   16 CL   UNL     1      -5.643  -1.507  -0.018  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -4.705   0.873   0.870  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.744   1.853   1.021  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.488   1.680   0.463  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.364   2.434   0.436  1.00  0.00           O  
HETATM   21 CL   UNL     1       1.614  -4.102  -0.380  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       3.242   1.595   1.569  1.00  0.00          Cl  
HETATM   23  H   UNL     1       3.441  -0.957   2.821  1.00  0.00           H  
HETATM   24  H   UNL     1       2.801  -3.206   2.050  1.00  0.00           H  
HETATM   25  H   UNL     1       1.409  -1.550  -1.628  1.00  0.00           H  
HETATM   26  H   UNL     1       1.107   3.113  -0.224  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.957  -1.381  -0.941  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.684   1.011   1.305  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.971   2.753   1.573  1.00  0.00           H  
CONECT    1    2    6    6   23                                       
CONECT    2    1    3    3   24                                       
CONECT    3    2    2    4   21                                       
CONECT    4    3    5    5   25                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5   22                                       
CONECT    7    5    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   26                                            
CONECT   11   10   12   12   20                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   27                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15                                                      
CONECT   17   15   15   18   28                                       
CONECT   18   17   19   19   29                                       
CONECT   19   13   18   18   20                                       
CONECT   20   11   19                                                 
CONECT   21    3                                                      
CONECT   22    6                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26   10                                                      
CONECT   27   14                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
