COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.482   1.280   0.588  1.00  0.00           C  
HETATM    2  S   UNL     1       7.533  -0.186   0.096  1.00  0.00           S  
HETATM    3  O   UNL     1       7.451  -1.134   1.150  1.00  0.00           O  
HETATM    4  O   UNL     1       7.816  -0.568  -1.243  1.00  0.00           O  
HETATM    5  C   UNL     1       5.882   0.422  -0.012  1.00  0.00           C  
HETATM    6  C   UNL     1       5.411   0.934  -1.207  1.00  0.00           C  
HETATM    7  C   UNL     1       4.116   1.410  -1.292  1.00  0.00           C  
HETATM    8  C   UNL     1       5.057   0.383   1.096  1.00  0.00           C  
HETATM    9  C   UNL     1       3.764   0.863   1.012  1.00  0.00           C  
HETATM   10  C   UNL     1       3.293   1.376  -0.182  1.00  0.00           C  
HETATM   11  C   UNL     1       1.881   1.896  -0.274  1.00  0.00           C  
HETATM   12  N   UNL     1       0.982   0.804  -0.671  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.388   1.306  -0.507  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.384   0.180  -0.786  1.00  0.00           C  
HETATM   15  C   UNL     1       1.163  -0.270   0.314  1.00  0.00           C  
HETATM   16  C   UNL     1       0.166  -1.396   0.035  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.204  -0.894   0.198  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.064  -1.938  -0.181  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.678  -3.208  -0.625  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.754  -3.907  -0.885  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.881  -3.119  -0.620  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.445  -1.900  -0.178  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.291  -0.755   0.218  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.084  -0.109  -0.731  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.873   0.960  -0.358  1.00  0.00           C  
HETATM   26 CL   UNL     1      -6.858   1.764  -1.539  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -5.880   1.394   0.963  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.660   2.447   1.324  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.096   0.757   1.912  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.305  -0.319   1.549  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.536  -0.945   2.478  1.00  0.00           O  
HETATM   32  H   UNL     1       8.371   2.056  -0.170  1.00  0.00           H  
HETATM   33  H   UNL     1       8.109   1.650   1.543  1.00  0.00           H  
HETATM   34  H   UNL     1       9.534   1.015   0.686  1.00  0.00           H  
HETATM   35  H   UNL     1       6.054   0.961  -2.074  1.00  0.00           H  
HETATM   36  H   UNL     1       3.748   1.811  -2.225  1.00  0.00           H  
HETATM   37  H   UNL     1       5.425  -0.018   2.029  1.00  0.00           H  
HETATM   38  H   UNL     1       3.120   0.836   1.879  1.00  0.00           H  
HETATM   39  H   UNL     1       1.574   2.286   0.696  1.00  0.00           H  
HETATM   40  H   UNL     1       1.836   2.692  -1.017  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.523   1.666   0.513  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.560   2.124  -1.206  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.400   0.569  -0.716  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.216  -0.214  -1.788  1.00  0.00           H  
HETATM   45  H   UNL     1       2.179  -0.659   0.244  1.00  0.00           H  
HETATM   46  H   UNL     1       0.994   0.124   1.316  1.00  0.00           H  
HETATM   47  H   UNL     1       0.339  -2.214   0.734  1.00  0.00           H  
HETATM   48  H   UNL     1       0.302  -1.756  -0.985  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.661  -3.554  -0.734  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.806  -3.390  -0.728  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.079  -0.444  -1.758  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.517   2.084   1.586  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.105   1.098   2.937  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.047  -1.699   2.802  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6    6    8                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6   10   10   36                                       
CONECT    8    5    9    9   37                                       
CONECT    9    8    8   10   38                                       
CONECT   10    7    7    9   11                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   15                                            
CONECT   13   12   14   41   42                                       
CONECT   14   13   17   43   44                                       
CONECT   15   12   16   45   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   14   16   18                                            
CONECT   18   17   19   22   22                                       
CONECT   19   18   20   20   49                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   50                                            
CONECT   22   18   18   21   23                                       
CONECT   23   22   24   24   30                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   28   29                                       
CONECT   28   27   52                                                 
CONECT   29   27   30   30   53                                       
CONECT   30   23   29   29   31                                       
CONECT   31   30   54                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
