COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.195   2.143   1.148  1.00  0.00           C  
HETATM    2  C   UNL     1       3.049   1.230   1.066  1.00  0.00           C  
HETATM    3  C   UNL     1       2.572   0.812  -0.184  1.00  0.00           C  
HETATM    4  C   UNL     1       1.507  -0.037  -0.259  1.00  0.00           C  
HETATM    5  C   UNL     1       2.434   0.771   2.239  1.00  0.00           C  
HETATM    6  C   UNL     1       1.368  -0.079   2.163  1.00  0.00           C  
HETATM    7  C   UNL     1       0.889  -0.491   0.913  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.259  -1.406   0.831  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.260  -2.677   0.353  1.00  0.00           C  
HETATM   10  C   UNL     1       0.888  -3.421  -0.191  1.00  0.00           C  
HETATM   11  C   UNL     1       1.967  -3.749   0.636  1.00  0.00           C  
HETATM   12  C   UNL     1       3.039  -4.445   0.123  1.00  0.00           C  
HETATM   13  C   UNL     1       3.050  -4.821  -1.214  1.00  0.00           C  
HETATM   14  O   UNL     1       4.109  -5.508  -1.716  1.00  0.00           O  
HETATM   15  C   UNL     1       1.980  -4.498  -2.040  1.00  0.00           C  
HETATM   16  C   UNL     1       0.901  -3.808  -1.535  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.700  -3.178   0.495  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.506  -2.418  -0.604  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.121  -2.458   1.702  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.697  -1.123   1.275  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.505  -0.966  -0.058  1.00  0.00           C  
HETATM   22  S   UNL     1      -4.195  -0.397   0.273  1.00  0.00           S  
HETATM   23  O   UNL     1      -4.853  -0.056  -0.941  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.823  -1.232   1.237  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.015   0.934   0.988  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.664   1.959   0.169  1.00  0.00           C  
HETATM   27  H   UNL     1       4.565   2.461   2.112  1.00  0.00           H  
HETATM   28  H   UNL     1       3.049   1.163  -1.087  1.00  0.00           H  
HETATM   29  H   UNL     1       1.140  -0.358  -1.222  1.00  0.00           H  
HETATM   30  H   UNL     1       2.803   1.089   3.203  1.00  0.00           H  
HETATM   31  H   UNL     1       0.894  -0.433   3.066  1.00  0.00           H  
HETATM   32  H   UNL     1       4.022  -6.469  -1.650  1.00  0.00           H  
HETATM   33  H   UNL     1       1.994  -4.793  -3.079  1.00  0.00           H  
HETATM   34  H   UNL     1       0.068  -3.561  -2.177  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.824  -4.261   0.506  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.998  -2.472  -1.567  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.522  -2.806  -0.680  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.818  -0.326   2.009  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.995  -0.290  -0.744  1.00  0.00           H  
HETATM   40  C   UNL     1       4.792   2.582   0.017  1.00  0.00           C  
HETATM   41  C   UNL     1       5.899   3.464   0.096  1.00  0.00           C  
HETATM   42  O   UNL     1       6.313   3.826   1.181  1.00  0.00           O  
HETATM   43  O   UNL     1       6.495   3.901  -1.033  1.00  0.00           O  
HETATM   44  H   UNL     1       4.425   2.260  -0.947  1.00  0.00           H  
HETATM   45  H   UNL     1       7.240   4.498  -0.879  1.00  0.00           H  
HETATM   46  C   UNL     1      -4.644   2.732  -0.437  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.286   3.774  -1.269  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.950   4.047  -1.501  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.970   3.278  -0.899  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.325   2.238  -0.060  1.00  0.00           C  
HETATM   51 CL   UNL     1      -0.294   3.624  -1.192  1.00  0.00          Cl  
HETATM   52  H   UNL     1       1.960  -3.456   1.676  1.00  0.00           H  
HETATM   53  H   UNL     1       3.873  -4.699   0.761  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.688   2.519  -0.257  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.049   4.376  -1.740  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.671   4.862  -2.153  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.560   1.638   0.411  1.00  0.00           H  
CONECT    1    2   27   40   40                                       
CONECT    2    3    1    5    5                                       
CONECT    3    4    4    2   28                                       
CONECT    4    3    3    7   29                                       
CONECT    5    2    2    6   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    4    8    6    6                                       
CONECT    8   20    7    9    9                                       
CONECT    9    8    8   17   10                                       
CONECT   10    9   16   16   11                                       
CONECT   11   10   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   15   15   12   14                                       
CONECT   14   13   32                                                 
CONECT   15   16   13   13   33                                       
CONECT   16   10   10   15   34                                       
CONECT   17   19    9   18   35                                       
CONECT   18   21   17   36   37                                       
CONECT   19   20   17                                                 
CONECT   20   19    8   21   38                                       
CONECT   21   22   20   18   39                                       
CONECT   22   25   23   23   24                                       
CONECT   22   24   21                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   26   22                                                 
CONECT   26   25   46   50   50                                       
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40    1    1   41   44                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   45                                                 
CONECT   44   40                                                      
CONECT   45   43                                                      
CONECT   46   26   47   47   54                                       
CONECT   47   46   46   48   55                                       
CONECT   48   47   49   49   56                                       
CONECT   49   48   48   50   51                                       
CONECT   50   49   26   26   57                                       
CONECT   51   49                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   46                                                      
CONECT   55   47                                                      
CONECT   56   48                                                      
CONECT   57   50                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
