COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.646   1.015   0.009  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.378   1.611  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.375  -0.567   0.034  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.637  -1.157   0.049  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.759  -0.379   0.037  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.755   3.065  -0.024  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.856   1.854  -0.004  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.075   1.279   0.005  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.223   2.168  -0.009  1.00  0.00           C  
HETATM   10 CL   UNL     1      -1.228   3.340  -0.029  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -0.250   0.820   0.011  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.786  -2.912   0.078  1.00  0.00           S  
HETATM   13  O   UNL     1      -3.178  -3.197   0.055  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.169  -3.480  -1.350  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.915  -3.372   1.102  1.00  0.00           O  
HETATM   16  S   UNL     1       1.068  -1.579   0.050  1.00  0.00           S  
HETATM   17  C   UNL     1       2.417  -0.367   0.021  1.00  0.00           C  
HETATM   18  C   UNL     1       3.760  -1.099   0.032  1.00  0.00           C  
HETATM   19  C   UNL     1       4.881  -0.091   0.009  1.00  0.00           C  
HETATM   20  C   UNL     1       5.398   0.395   1.194  1.00  0.00           C  
HETATM   21  C   UNL     1       6.426   1.319   1.172  1.00  0.00           C  
HETATM   22  C   UNL     1       6.937   1.757  -0.036  1.00  0.00           C  
HETATM   23  C   UNL     1       6.419   1.270  -1.221  1.00  0.00           C  
HETATM   24  C   UNL     1       5.395   0.342  -1.199  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.736  -0.841   0.050  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.139   1.578   0.001  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.195   2.811   0.871  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.196   2.782  -0.909  1.00  0.00           H  
HETATM   29  H   UNL     1       0.729   1.274  -0.001  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.756  -4.357  -1.386  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.220  -2.935  -2.151  1.00  0.00           H  
HETATM   32  H   UNL     1       2.341   0.240  -0.881  1.00  0.00           H  
HETATM   33  H   UNL     1       2.346   0.276   0.899  1.00  0.00           H  
HETATM   34  H   UNL     1       3.836  -1.705   0.935  1.00  0.00           H  
HETATM   35  H   UNL     1       3.831  -1.742  -0.845  1.00  0.00           H  
HETATM   36  H   UNL     1       4.999   0.054   2.138  1.00  0.00           H  
HETATM   37  H   UNL     1       6.831   1.699   2.099  1.00  0.00           H  
HETATM   38  H   UNL     1       7.740   2.479  -0.053  1.00  0.00           H  
HETATM   39  H   UNL     1       6.818   1.612  -2.165  1.00  0.00           H  
HETATM   40  H   UNL     1       4.994  -0.042  -2.126  1.00  0.00           H  
CONECT    1    5    5    2    7                                       
CONECT    2   11   11    1   10                                       
CONECT    3   16    4    4   11                                       
CONECT    4   12    3    3    5                                       
CONECT    5    4    1    1   25                                       
CONECT    6    7    7                                                 
CONECT    7    1    8    6    6                                       
CONECT    8    7    9                                                 
CONECT    9    8   26   27   28                                       
CONECT   10    2                                                      
CONECT   11    3    2    2   29                                       
CONECT   12   13   13   15   15                                       
CONECT   12   14    4                                                 
CONECT   13   12   12                                                 
CONECT   14   12   30   31                                            
CONECT   15   12   12                                                 
CONECT   16   17    3                                                 
CONECT   17   18   16   32   33                                       
CONECT   18   19   17   34   35                                       
CONECT   19   18   24   24   20                                       
CONECT   20   19   21   21   36                                       
CONECT   21   20   20   22   37                                       
CONECT   22   23   23   21   38                                       
CONECT   23   24   22   22   39                                       
CONECT   24   19   19   23   40                                       
CONECT   25    5                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
