COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.024   1.267   2.185  1.00  0.00           C  
HETATM    2  S   UNL     1       7.044  -0.271   1.222  1.00  0.00           S  
HETATM    3  O   UNL     1       8.299  -0.439   0.578  1.00  0.00           O  
HETATM    4  O   UNL     1       6.452  -1.330   1.962  1.00  0.00           O  
HETATM    5  C   UNL     1       5.914   0.023  -0.097  1.00  0.00           C  
HETATM    6  C   UNL     1       4.579  -0.288   0.057  1.00  0.00           C  
HETATM    7  C   UNL     1       6.366   0.569  -1.285  1.00  0.00           C  
HETATM    8  C   UNL     1       5.485   0.802  -2.325  1.00  0.00           C  
HETATM    9  C   UNL     1       4.148   0.490  -2.183  1.00  0.00           C  
HETATM   10  C   UNL     1       3.686  -0.056  -0.988  1.00  0.00           C  
HETATM   11  C   UNL     1       2.249  -0.388  -0.827  1.00  0.00           C  
HETATM   12  C   UNL     1       1.357  -0.155  -1.873  1.00  0.00           C  
HETATM   13  C   UNL     1       0.022  -0.464  -1.721  1.00  0.00           C  
HETATM   14  C   UNL     1       1.789  -0.938   0.368  1.00  0.00           C  
HETATM   15  C   UNL     1       0.454  -1.251   0.513  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.435  -1.007  -0.527  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.791  -1.325  -0.377  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.318  -2.576  -0.179  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.653  -2.426  -0.089  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.653  -3.532   0.131  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.064  -2.943   0.172  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.556  -4.542  -1.015  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.374  -4.188   1.369  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.939  -1.123  -0.227  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.832  -0.453  -0.394  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.727   1.039  -0.580  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.287   1.485  -0.318  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.121   1.404  -2.013  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.651   1.732   0.387  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.407   0.989   1.274  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.255   1.625   2.161  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.347   3.005   2.163  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.592   3.749   1.277  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.738   3.113   0.392  1.00  0.00           C  
HETATM   35 CL   UNL     1      -2.784   4.047  -0.717  1.00  0.00          Cl  
HETATM   36  H   UNL     1       7.342   2.095   1.553  1.00  0.00           H  
HETATM   37  H   UNL     1       6.013   1.454   2.549  1.00  0.00           H  
HETATM   38  H   UNL     1       7.703   1.174   3.033  1.00  0.00           H  
HETATM   39  H   UNL     1       4.226  -0.711   0.986  1.00  0.00           H  
HETATM   40  H   UNL     1       7.412   0.815  -1.400  1.00  0.00           H  
HETATM   41  H   UNL     1       5.844   1.229  -3.250  1.00  0.00           H  
HETATM   42  H   UNL     1       3.461   0.673  -2.996  1.00  0.00           H  
HETATM   43  H   UNL     1       1.712   0.268  -2.801  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.669  -0.284  -2.531  1.00  0.00           H  
HETATM   45  H   UNL     1       2.478  -1.120   1.180  1.00  0.00           H  
HETATM   46  H   UNL     1       0.096  -1.673   1.441  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.768  -3.502  -0.109  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.277  -2.443  -0.773  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.788  -3.743   0.331  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.134  -2.223   0.988  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.768  -4.042  -1.959  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.550  -4.962  -1.044  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.279  -5.342  -0.856  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.494  -4.586   1.414  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.689   1.329  -1.216  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.276   2.543  -0.054  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.869   0.902   0.502  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.158   1.118  -2.188  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.011   2.478  -2.158  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.475   0.875  -2.713  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.336  -0.088   1.273  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.846   1.044   2.854  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.010   3.501   2.856  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.664   4.826   1.278  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    4    4    1    3                                       
CONECT    2    3    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6    6    7                                       
CONECT    6    5    5   10   39                                       
CONECT    7    5    8    8   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9   10   10    8   42                                       
CONECT   10    6   11    9    9                                       
CONECT   11   14   14   12   10                                       
CONECT   12   13   13   11   43                                       
CONECT   13   16   12   12   44                                       
CONECT   14   15   11   11   45                                       
CONECT   15   16   16   14   46                                       
CONECT   16   17   15   15   13                                       
CONECT   17   18   16   25                                            
CONECT   18   19   19   17   47                                       
CONECT   19   20   18   18   24                                       
CONECT   20   23   22   21   19                                       
CONECT   21   20   48   49   50                                       
CONECT   22   20   51   52   53                                       
CONECT   23   20   54                                                 
CONECT   24   19   25   25                                            
CONECT   25   17   24   24   26                                       
CONECT   26   25   27   28   29                                       
CONECT   27   26   55   56   57                                       
CONECT   28   26   58   59   60                                       
CONECT   29   26   34   34   30                                       
CONECT   30   29   31   31   61                                       
CONECT   31   30   30   32   62                                       
CONECT   32   33   33   31   63                                       
CONECT   33   34   32   32   64                                       
CONECT   34   35   29   29   33                                       
CONECT   35   34                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
