COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.335  -0.701  -0.969  1.00  0.00           N  
HETATM    2  C   UNL     1       2.585  -2.387   0.602  1.00  0.00           C  
HETATM    3  C   UNL     1       1.912  -3.505   1.121  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.112  -2.753   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1       0.451  -1.624  -0.274  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.654  -0.606  -0.706  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.946   0.224  -1.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.554   0.086  -0.135  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.381   1.093  -0.062  1.00  0.00           C  
HETATM   10  C   UNL     1       2.491  -0.299  -0.650  1.00  0.00           C  
HETATM   11 CL   UNL     1      -6.234   2.117   1.626  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -5.686   1.025   0.393  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.119  -0.779  -1.122  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.815  -0.711  -1.575  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.525   0.298  -1.540  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.139  -1.247   0.201  1.00  0.00           O  
HETATM   17  N   UNL     1       0.619  -3.639   0.942  1.00  0.00           N  
HETATM   18  C   UNL     1       1.840  -1.418  -0.119  1.00  0.00           C  
HETATM   19  C   UNL     1       3.968  -2.208   0.771  1.00  0.00           C  
HETATM   20  C   UNL     1       4.572  -1.107   0.247  1.00  0.00           C  
HETATM   21  C   UNL     1       3.837  -0.149  -0.459  1.00  0.00           C  
HETATM   22  O   UNL     1       4.471   0.936  -0.974  1.00  0.00           O  
HETATM   23  S   UNL     1       4.514   2.132  -0.033  1.00  0.00           S  
HETATM   24  O   UNL     1       4.969   3.203  -0.849  1.00  0.00           O  
HETATM   25  O   UNL     1       3.223   2.159   0.560  1.00  0.00           O  
HETATM   26  C   UNL     1       5.771   1.693   1.199  1.00  0.00           C  
HETATM   27  H   UNL     1       0.069  -0.126  -1.638  1.00  0.00           H  
HETATM   28  H   UNL     1       2.461  -4.256   1.669  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.172  -2.923   0.169  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.573   0.032   0.220  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.703   1.826   0.351  1.00  0.00           H  
HETATM   32  H   UNL     1       1.935   0.440  -1.208  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.796  -1.513  -1.534  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.476  -1.387  -2.346  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.165   1.324  -1.459  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.486  -0.020  -2.582  1.00  0.00           H  
HETATM   37  H   UNL     1       4.548  -2.939   1.314  1.00  0.00           H  
HETATM   38  H   UNL     1       5.635  -0.971   0.379  1.00  0.00           H  
HETATM   39  H   UNL     1       6.728   1.532   0.701  1.00  0.00           H  
HETATM   40  H   UNL     1       5.870   2.503   1.922  1.00  0.00           H  
HETATM   41  H   UNL     1       5.472   0.781   1.715  1.00  0.00           H  
CONECT    1    6    5   27                                            
CONECT    2   18   18    3   19                                       
CONECT    3   17   17    2   28                                       
CONECT    4    5    5   17   29                                       
CONECT    5    1    4    4   18                                       
CONECT    6   15   16   16    1                                       
CONECT    7    9    9   14   15                                       
CONECT    8   12   12   13   30                                       
CONECT    9   12    7    7   31                                       
CONECT   10   18   21   21   32                                       
CONECT   11   12                                                      
CONECT   12   11    8    8    9                                       
CONECT   13    8   14   14   33                                       
CONECT   14   13   13    7   34                                       
CONECT   15    7    6   35   36                                       
CONECT   16    6    6                                                 
CONECT   17    4    3    3                                            
CONECT   18    5   10    2    2                                       
CONECT   19    2   20   20   37                                       
CONECT   20   21   19   19   38                                       
CONECT   21   10   10   22   20                                       
CONECT   22   21   23                                                 
CONECT   23   26   22   24   24                                       
CONECT   23   25   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   39   40   41                                       
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
