COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.436   0.777   1.659  1.00  0.00           O  
HETATM    2  C   UNL     1       2.263   0.210   2.026  1.00  0.00           C  
HETATM    3  C   UNL     1       1.029   0.407   1.415  1.00  0.00           C  
HETATM    4  C   UNL     1       0.744   1.265   0.261  1.00  0.00           C  
HETATM    5  O   UNL     1       0.512   2.448   0.424  1.00  0.00           O  
HETATM    6  C   UNL     1       0.739   0.692  -1.101  1.00  0.00           C  
HETATM    7  C   UNL     1       0.544   1.520  -2.210  1.00  0.00           C  
HETATM    8 CL   UNL     1       0.314   3.227  -1.992  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.547   0.979  -3.481  1.00  0.00           C  
HETATM   10  C   UNL     1       0.730  -0.380  -3.655  1.00  0.00           C  
HETATM   11  C   UNL     1       0.918  -1.206  -2.561  1.00  0.00           C  
HETATM   12  C   UNL     1       0.924  -0.678  -1.287  1.00  0.00           C  
HETATM   13  S   UNL     1       0.725  -1.064  -5.279  1.00  0.00           S  
HETATM   14  O   UNL     1       1.520  -2.232  -5.132  1.00  0.00           O  
HETATM   15  O   UNL     1       1.135   0.032  -6.084  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.021  -1.474  -5.549  1.00  0.00           C  
HETATM   17  C   UNL     1       0.067  -0.411   2.163  1.00  0.00           C  
HETATM   18  N   UNL     1       0.736  -1.019   3.115  1.00  0.00           N  
HETATM   19  N   UNL     1       2.082  -0.651   3.043  1.00  0.00           N  
HETATM   20  C   UNL     1       3.135  -1.128   3.942  1.00  0.00           C  
HETATM   21  C   UNL     1       2.533  -2.089   4.969  1.00  0.00           C  
HETATM   22  C   UNL     1       3.765   0.062   4.667  1.00  0.00           C  
HETATM   23  C   UNL     1       4.208  -1.857   3.130  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.385  -0.530   1.894  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.216   0.582   2.033  1.00  0.00           C  
HETATM   26 CL   UNL     1      -1.549   2.110   2.515  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -3.568   0.466   1.776  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.100  -0.751   1.391  1.00  0.00           C  
HETATM   29 CL   UNL     1      -5.801  -0.891   1.076  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -3.281  -1.859   1.258  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.928  -1.754   1.507  1.00  0.00           C  
HETATM   32  H   UNL     1       3.472   1.645   2.085  1.00  0.00           H  
HETATM   33  H   UNL     1       0.401   1.618  -4.339  1.00  0.00           H  
HETATM   34  H   UNL     1       1.062  -2.267  -2.705  1.00  0.00           H  
HETATM   35  H   UNL     1       1.071  -1.324  -0.434  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.142  -1.912  -6.540  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.347  -2.189  -4.794  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.623  -0.568  -5.475  1.00  0.00           H  
HETATM   39  H   UNL     1       3.317  -2.444   5.638  1.00  0.00           H  
HETATM   40  H   UNL     1       1.769  -1.570   5.548  1.00  0.00           H  
HETATM   41  H   UNL     1       2.084  -2.937   4.453  1.00  0.00           H  
HETATM   42  H   UNL     1       3.001   0.581   5.245  1.00  0.00           H  
HETATM   43  H   UNL     1       4.549  -0.291   5.336  1.00  0.00           H  
HETATM   44  H   UNL     1       4.195   0.747   3.935  1.00  0.00           H  
HETATM   45  H   UNL     1       3.759  -2.705   2.614  1.00  0.00           H  
HETATM   46  H   UNL     1       4.637  -1.172   2.398  1.00  0.00           H  
HETATM   47  H   UNL     1       4.992  -2.211   3.799  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.212   1.328   1.878  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.701  -2.808   0.958  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.290  -2.619   1.402  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    1    3    3   19                                       
CONECT    3    2    2    4   17                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    7   12                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7                                                      
CONECT    9    7   10   10   33                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   34                                       
CONECT   12    6   11   11   35                                       
CONECT   13   10   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   36   37   38                                       
CONECT   17    3   18   18   24                                       
CONECT   18   17   17   19                                            
CONECT   19    2   18   20                                            
CONECT   20   19   21   22   23                                       
CONECT   21   20   39   40   41                                       
CONECT   22   20   42   43   44                                       
CONECT   23   20   45   46   47                                       
CONECT   24   17   25   25   31                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25                                                      
CONECT   27   25   28   28   48                                       
CONECT   28   27   27   29   30                                       
CONECT   29   28                                                      
CONECT   30   28   31   31   49                                       
CONECT   31   24   30   30   50                                       
CONECT   32    1                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
