COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.789  -0.299  -0.161  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.465  -0.574  -1.335  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.551   0.388  -2.324  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.962   1.624  -2.139  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.287   1.900  -0.965  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.200   0.937   0.024  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.463   1.237   1.304  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.055   0.860   1.157  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.528  -0.391   1.454  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.262  -1.498   1.942  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.590  -1.386   2.157  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.695  -2.551   2.168  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.058   1.691   0.699  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.054   3.017   0.270  1.00  0.00           C  
HETATM   15  C   UNL     1       1.122   3.601  -0.143  1.00  0.00           C  
HETATM   16  C   UNL     1       2.310   2.881  -0.138  1.00  0.00           C  
HETATM   17 CL   UNL     1       3.780   3.641  -0.664  1.00  0.00          Cl  
HETATM   18  C   UNL     1       2.331   1.579   0.278  1.00  0.00           C  
HETATM   19  C   UNL     1       1.148   0.967   0.702  1.00  0.00           C  
HETATM   20  C   UNL     1       0.829  -0.377   1.192  1.00  0.00           C  
HETATM   21  S   UNL     1       1.955  -1.716   1.404  1.00  0.00           S  
HETATM   22  C   UNL     1       1.843  -2.464  -0.187  1.00  0.00           C  
HETATM   23  C   UNL     1       1.010  -1.919  -1.156  1.00  0.00           C  
HETATM   24  C   UNL     1       0.924  -2.509  -2.402  1.00  0.00           C  
HETATM   25  C   UNL     1       1.668  -3.640  -2.686  1.00  0.00           C  
HETATM   26  C   UNL     1       2.498  -4.185  -1.724  1.00  0.00           C  
HETATM   27  C   UNL     1       2.593  -3.598  -0.478  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.726  -1.049   0.614  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.926  -1.540  -1.479  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.079   0.173  -3.242  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.029   2.375  -2.913  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.826   2.865  -0.821  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.533   2.303   1.522  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.908   0.669   2.121  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.004  -2.193   2.490  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.973   3.585   0.262  1.00  0.00           H  
HETATM   37  H   UNL     1       1.121   4.628  -0.474  1.00  0.00           H  
HETATM   38  H   UNL     1       3.258   1.026   0.279  1.00  0.00           H  
HETATM   39  H   UNL     1       0.429  -1.036  -0.935  1.00  0.00           H  
HETATM   40  H   UNL     1       0.277  -2.086  -3.156  1.00  0.00           H  
HETATM   41  H   UNL     1       1.599  -4.099  -3.661  1.00  0.00           H  
HETATM   42  H   UNL     1       3.076  -5.069  -1.949  1.00  0.00           H  
HETATM   43  H   UNL     1       3.246  -4.021   0.271  1.00  0.00           H  
CONECT    1    2    6    6   28                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7   13    9                                            
CONECT    9    8   10   20   20                                       
CONECT   10    9   12   12   11                                       
CONECT   11   10   35                                                 
CONECT   12   10   10                                                 
CONECT   13    8   14   19   19                                       
CONECT   14   13   15   15   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   38                                       
CONECT   19   13   13   18   20                                       
CONECT   20    9    9   19   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   39                                       
CONECT   24   23   23   25   40                                       
CONECT   25   24   26   26   41                                       
CONECT   26   25   25   27   42                                       
CONECT   27   22   22   26   43                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
