COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.081  -1.920   0.033  1.00  0.00           C  
HETATM    2  C   UNL     1       1.398  -1.484  -0.013  1.00  0.00           C  
HETATM    3  C   UNL     1       1.685  -0.134  -0.069  1.00  0.00           C  
HETATM    4  C   UNL     1       0.653   0.797  -0.080  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.680   0.357  -0.034  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.954  -1.012   0.023  1.00  0.00           C  
HETATM    7  C   UNL     1       2.773   2.560  -0.028  1.00  0.00           C  
HETATM    8  C   UNL     1       3.385   2.541   1.219  1.00  0.00           C  
HETATM    9  N   UNL     1       0.262  -4.307  -1.325  1.00  0.00           N  
HETATM   10  C   UNL     1       4.762   2.574   1.312  1.00  0.00           C  
HETATM   11  O   UNL     1       0.557  -4.184   1.122  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.541   2.524  -0.093  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.783   1.334  -0.044  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.061   0.907   0.001  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.158   1.878  -0.010  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.496   1.138   0.047  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.641   2.152   0.037  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.890   1.460   0.090  1.00  0.00           O  
HETATM   19  S   UNL     1      -0.268  -3.646   0.098  1.00  0.00           S  
HETATM   20  O   UNL     1      -1.684  -3.770   0.095  1.00  0.00           O  
HETATM   21 CL   UNL     1       2.691  -2.641   0.000  1.00  0.00          Cl  
HETATM   22  S   UNL     1       1.016   2.520  -0.151  1.00  0.00           S  
HETATM   23  C   UNL     1       3.550   2.617  -1.179  1.00  0.00           C  
HETATM   24  C   UNL     1       4.927   2.654  -1.079  1.00  0.00           C  
HETATM   25  C   UNL     1       5.532   2.625   0.164  1.00  0.00           C  
HETATM   26  H   UNL     1       2.712   0.198  -0.105  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.977  -1.358   0.059  1.00  0.00           H  
HETATM   28  H   UNL     1       2.783   2.501   2.116  1.00  0.00           H  
HETATM   29  H   UNL     1       0.160  -5.258  -1.486  1.00  0.00           H  
HETATM   30  H   UNL     1       0.675  -3.743  -1.998  1.00  0.00           H  
HETATM   31  H   UNL     1       5.238   2.559   2.281  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.254  -0.042   0.039  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.069   2.536   0.855  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.110   2.471  -0.923  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.584   0.480  -0.817  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.544   0.545   0.961  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.552   2.809   0.902  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.593   2.745  -0.876  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.663   2.042   0.087  1.00  0.00           H  
HETATM   40  H   UNL     1       3.078   2.639  -2.149  1.00  0.00           H  
HETATM   41  H   UNL     1       5.531   2.699  -1.972  1.00  0.00           H  
HETATM   42  H   UNL     1       6.609   2.655   0.240  1.00  0.00           H  
CONECT    1    2   19    6    6                                       
CONECT    2   21    3    3    1                                       
CONECT    3    2    2    4   26                                       
CONECT    4    3   22    5    5                                       
CONECT    5    4    4    6   13                                       
CONECT    6    1    1    5   27                                       
CONECT    7   22   23    8    8                                       
CONECT    8    7    7   10   28                                       
CONECT    9   19   29   30                                            
CONECT   10   25   25    8   31                                       
CONECT   11   19   19                                                 
CONECT   12   13   13                                                 
CONECT   13    5   14   12   12                                       
CONECT   14   13   15   32                                            
CONECT   15   14   16   33   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17   39                                                 
CONECT   19   20   20   11   11                                       
CONECT   19    1    9                                                 
CONECT   20   19   19                                                 
CONECT   21    2                                                      
CONECT   22    4    7                                                 
CONECT   23   24   24    7   40                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24   10   10   42                                       
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
