COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.347   0.873   1.307  1.00  0.00           C  
HETATM    2  C   UNL     1       7.045  -0.082   0.596  1.00  0.00           C  
HETATM    3  C   UNL     1       6.451  -0.794  -0.438  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.562   0.906   1.621  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.513  -2.665  -0.052  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.415   0.817   0.152  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.191   1.982   0.143  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.652   3.171  -0.362  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.392   3.162  -0.904  1.00  0.00           C  
HETATM   10  C   UNL     1       2.775   2.016  -1.015  1.00  0.00           C  
HETATM   11  C   UNL     1       1.979   0.247   0.518  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.117   0.832  -0.316  1.00  0.00           C  
HETATM   13  C   UNL     1       0.364   1.993  -0.921  1.00  0.00           C  
HETATM   14  C   UNL     1       3.025   0.578  -0.535  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.585   1.999   0.622  1.00  0.00           C  
HETATM   16  C   UNL     1       0.261  -2.629   0.381  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.952  -3.419   0.874  1.00  0.00           C  
HETATM   18  C   UNL     1       4.255  -1.115  -1.786  1.00  0.00           C  
HETATM   19  C   UNL     1       2.903  -0.382  -1.728  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.550  -4.213  -0.288  1.00  0.00           C  
HETATM   21  N   UNL     1       0.752  -0.299  -0.177  1.00  0.00           N  
HETATM   22  O   UNL     1       1.506   2.036  -1.644  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.171   3.057   0.747  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.224   0.811   0.882  1.00  0.00           N  
HETATM   25  C   UNL     1       0.173  -1.186   0.887  1.00  0.00           C  
HETATM   26  C   UNL     1       5.125  -0.503  -0.731  1.00  0.00           C  
HETATM   27  C   UNL     1       4.422   0.460  -0.017  1.00  0.00           C  
HETATM   28  C   UNL     1       5.023   1.170   1.016  1.00  0.00           C  
HETATM   29 CL   UNL     1       8.702  -0.401   1.003  1.00  0.00          Cl  
HETATM   30  S   UNL     1      -5.833   0.801   0.405  1.00  0.00           S  
HETATM   31  C   UNL     1      -6.063  -0.835  -0.340  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.915   1.816  -0.587  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.720  -1.434  -0.750  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.935  -3.706  -0.839  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.007  -4.556   0.030  1.00  0.00           C  
HETATM   36  H   UNL     1       6.844   1.405   2.105  1.00  0.00           H  
HETATM   37  H   UNL     1       6.998  -1.541  -0.993  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.913  -0.087   0.468  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.224   4.087  -0.327  1.00  0.00           H  
HETATM   40  H   UNL     1       0.024   4.072  -1.313  1.00  0.00           H  
HETATM   41  H   UNL     1       2.783   2.692  -0.161  1.00  0.00           H  
HETATM   42  H   UNL     1       3.550   2.304  -1.723  1.00  0.00           H  
HETATM   43  H   UNL     1       2.354  -0.522   1.186  1.00  0.00           H  
HETATM   44  H   UNL     1       1.684   1.134   1.064  1.00  0.00           H  
HETATM   45  H   UNL     1       1.174  -3.089   0.761  1.00  0.00           H  
HETATM   46  H   UNL     1       0.281  -2.629  -0.708  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.641  -4.108   1.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.700  -2.733   1.269  1.00  0.00           H  
HETATM   49  H   UNL     1       4.111  -2.176  -1.583  1.00  0.00           H  
HETATM   50  H   UNL     1       4.709  -0.982  -2.768  1.00  0.00           H  
HETATM   51  H   UNL     1       2.096  -1.097  -1.571  1.00  0.00           H  
HETATM   52  H   UNL     1       2.738   0.177  -2.650  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.505  -3.616  -1.199  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.982  -5.133  -0.430  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.791   0.046   1.284  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.826  -0.937   1.153  1.00  0.00           H  
HETATM   57  H   UNL     1       0.811  -1.090   1.773  1.00  0.00           H  
HETATM   58  H   UNL     1       4.481   1.922   1.571  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.551  -1.495   0.378  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.698  -0.741  -1.224  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.913  -0.744  -0.518  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.725  -1.629  -1.825  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.727  -4.337  -1.245  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.367  -3.269  -1.660  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.185  -5.613  -0.172  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.207  -4.351   1.082  1.00  0.00           H  
CONECT    1   28   28    2   36                                       
CONECT    2    3    3    1   29                                       
CONECT    3   26    2    2   37                                       
CONECT    4   30   30                                                 
CONECT    5   33   34                                                 
CONECT    6    7    7   12   38                                       
CONECT    7   15    6    6    8                                       
CONECT    8    7    9    9   39                                       
CONECT    9    8    8   13   40                                       
CONECT   10   14   22   41   42                                       
CONECT   11   21   14   43   44                                       
CONECT   12    6   21   13   13                                       
CONECT   13   12   12    9   22                                       
CONECT   14   19   10   11   27                                       
CONECT   15   24   23   23    7                                       
CONECT   16   25   17   45   46                                       
CONECT   17   20   16   47   48                                       
CONECT   18   19   26   49   50                                       
CONECT   19   18   14   51   52                                       
CONECT   20   17   35   53   54                                       
CONECT   21   25   12   11                                            
CONECT   22   10   13                                                 
CONECT   23   15   15                                                 
CONECT   24   30   15   55                                            
CONECT   25   21   16   56   57                                       
CONECT   26   18   27   27    3                                       
CONECT   27   14   26   26   28                                       
CONECT   28   27    1    1   58                                       
CONECT   29    2                                                      
CONECT   30   32   32    4    4                                       
CONECT   30   24   31                                                 
CONECT   31   30   33   59   60                                       
CONECT   32   30   30                                                 
CONECT   33   31    5   61   62                                       
CONECT   34    5   35   63   64                                       
CONECT   35   20   34   65   66                                       
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
