COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.255  -0.375   0.421  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.411   2.641   0.148  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.274   1.829   0.062  1.00  0.00           C  
HETATM    4  C   UNL     1       0.261   0.299   0.904  1.00  0.00           C  
HETATM    5  C   UNL     1       1.199   0.650  -0.071  1.00  0.00           C  
HETATM    6  C   UNL     1       0.777   1.519  -1.093  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.918   3.219  -0.986  1.00  0.00           C  
HETATM    8  C   UNL     1       2.572   0.097  -0.056  1.00  0.00           C  
HETATM    9  C   UNL     1       3.439   0.403   0.994  1.00  0.00           C  
HETATM   10  C   UNL     1       4.719  -0.116   1.002  1.00  0.00           C  
HETATM   11  C   UNL     1       5.143  -0.937  -0.029  1.00  0.00           C  
HETATM   12  C   UNL     1       4.287  -1.243  -1.074  1.00  0.00           C  
HETATM   13 CL   UNL     1      -5.785  -2.753  -0.738  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -4.458  -2.048   0.132  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.480  -2.711   0.653  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.552  -2.017   1.281  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.757  -0.697   1.290  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.864   0.335   1.929  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.943   0.875   0.924  1.00  0.00           N1+
HETATM   20  O   UNL     1       0.564  -0.632   1.839  1.00  0.00           O1-
HETATM   21  C   UNL     1       3.003  -0.735  -1.089  1.00  0.00           C  
HETATM   22 CL   UNL     1       4.828  -2.273  -2.362  1.00  0.00          Cl  
HETATM   23 CL   UNL     1       5.798   0.263   2.308  1.00  0.00          Cl  
HETATM   24  O   UNL     1       1.545   1.854  -1.980  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.491   1.973  -1.066  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.001   2.533  -2.199  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.210   3.135  -2.189  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.079   3.027   1.446  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.865   3.737  -0.942  1.00  0.00           H  
HETATM   30  H   UNL     1       3.109   1.043   1.798  1.00  0.00           H  
HETATM   31  H   UNL     1       6.145  -1.339  -0.019  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.695  -2.478   1.751  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.474   1.142   2.335  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.293  -0.128   2.734  1.00  0.00           H  
HETATM   35  H   UNL     1       2.335  -0.979  -1.902  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.433   2.495  -3.117  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.621   3.545  -3.097  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.817   3.807   1.257  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.573   2.155   1.873  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.329   3.398   2.144  1.00  0.00           H  
CONECT    1   14   17                                                 
CONECT    2   28    3    7    7                                       
CONECT    3   19   19    2   25                                       
CONECT    4   20   19    5    5                                       
CONECT    5    4    4    8    6                                       
CONECT    6    5   25   24   24                                       
CONECT    7    2    2   27   29                                       
CONECT    8    9    5   21   21                                       
CONECT    9   10   10    8   30                                       
CONECT   10   23    9    9   11                                       
CONECT   11   10   12   12   31                                       
CONECT   12   11   11   21   22                                       
CONECT   13   14                                                      
CONECT   14   13    1   15   15                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   32                                       
CONECT   17    1   16   16   18                                       
CONECT   18   17   19   33   34                                       
CONECT   19   18    4    3    3                                       
CONECT   20    4                                                      
CONECT   21    8    8   12   35                                       
CONECT   22   12                                                      
CONECT   23   10                                                      
CONECT   24    6    6                                                 
CONECT   25    3    6   26                                            
CONECT   26   25   27   27   36                                       
CONECT   27    7   26   26   37                                       
CONECT   28    2   38   39   40                                       
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   16                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   21                                                      
CONECT   36   26                                                      
CONECT   37   27                                                      
CONECT   38   28                                                      
CONECT   39   28                                                      
CONECT   40   28                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
