COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.777  -3.315   1.194  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.665  -2.616  -0.154  1.00  0.00           S  
HETATM    3  O   UNL     1      -2.950  -3.499  -1.006  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.963  -2.123  -0.458  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.638  -1.203   0.075  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.210   0.033   0.361  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.596   0.151   0.466  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.210   1.276   0.050  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.689   1.457   0.281  1.00  0.00           C  
HETATM   10 CL   UNL     1      -7.210   3.051  -0.383  1.00  0.00          Cl  
HETATM   11  O   UNL     1      -4.574   2.143  -0.510  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.270  -1.324  -0.023  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.455  -0.202   0.158  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.034   1.040   0.440  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.403   1.152   0.543  1.00  0.00           C  
HETATM   16  N   UNL     1       0.901  -0.318   0.062  1.00  0.00           N  
HETATM   17  N   UNL     1       1.651   0.718   0.230  1.00  0.00           N  
HETATM   18  C   UNL     1       3.010   0.601   0.133  1.00  0.00           C  
HETATM   19  C   UNL     1       3.825   1.722   0.315  1.00  0.00           C  
HETATM   20  C   UNL     1       5.195   1.596   0.216  1.00  0.00           C  
HETATM   21  C   UNL     1       5.762   0.365  -0.062  1.00  0.00           C  
HETATM   22  S   UNL     1       7.514   0.214  -0.186  1.00  0.00           S  
HETATM   23  O   UNL     1       8.006   1.508  -0.509  1.00  0.00           O  
HETATM   24  O   UNL     1       8.038  -0.110   1.205  1.00  0.00           O  
HETATM   25  O   UNL     1       7.762  -0.933  -0.986  1.00  0.00           O  
HETATM   26  C   UNL     1       4.961  -0.749  -0.243  1.00  0.00           C  
HETATM   27  C   UNL     1       3.590  -0.640  -0.142  1.00  0.00           C  
HETATM   28  H   UNL     1      -5.118  -0.577   0.838  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.235   0.659  -0.220  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.896   1.424   1.351  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.827  -2.285  -0.241  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.408   1.909   0.581  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.850   2.109   0.765  1.00  0.00           H  
HETATM   34  H   UNL     1       3.384   2.683   0.531  1.00  0.00           H  
HETATM   35  H   UNL     1       5.827   2.461   0.356  1.00  0.00           H  
HETATM   36  H   UNL     1       5.411  -1.707  -0.459  1.00  0.00           H  
HETATM   37  H   UNL     1       2.966  -1.511  -0.279  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.325  -4.111   1.179  1.00  0.00           H  
HETATM   39  H   UNL     1       8.998  -0.214   1.250  1.00  0.00           H  
CONECT    1    2   38                                                 
CONECT    2    4    4    3    3                                       
CONECT    2    5    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2   12   12                                       
CONECT    6    7   15   15    5                                       
CONECT    7    8    6   28                                            
CONECT    8    9   11   11    7                                       
CONECT    9   10    8   29   30                                       
CONECT   10    9                                                      
CONECT   11    8    8                                                 
CONECT   12    5    5   13   31                                       
CONECT   13   14   14   12   16                                       
CONECT   14   15   13   13   32                                       
CONECT   15    6    6   14   33                                       
CONECT   16   13   17   17                                            
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   27                                       
CONECT   19   18   18   20   34                                       
CONECT   20   19   21   21   35                                       
CONECT   21   20   20   26   22                                       
CONECT   22   21   23   23   25                                       
CONECT   22   25   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   39                                                 
CONECT   25   22   22                                                 
CONECT   26   27   27   21   36                                       
CONECT   27   18   26   26   37                                       
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   26                                                      
CONECT   37   27                                                      
CONECT   38    1                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
