COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.352  -0.410  -0.150  1.00  0.00           C  
HETATM    2  S   UNL     1      -3.982  -0.989  -1.188  1.00  0.00           S  
HETATM    3  C   UNL     1      -6.478  -1.412  -0.199  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.471  -2.501   0.652  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.504  -3.419   0.607  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.542  -3.248  -0.289  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.549  -2.158  -1.139  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.516  -1.240  -1.095  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.446  -2.201  -0.675  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.309  -0.857  -2.564  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.774   2.681   0.237  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.660   3.768   0.850  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.620   5.017  -0.034  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.181   5.527  -0.131  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.295   4.440  -0.744  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.335   3.192   0.140  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.780   0.124  -0.945  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.167   0.262   0.378  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.813   1.433   1.121  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.690   0.520   0.222  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.206   0.626  -0.885  1.00  0.00           O  
HETATM   22  N   UNL     1       0.093   0.633   1.314  1.00  0.00           N  
HETATM   23  C   UNL     1       1.542   0.884   1.306  1.00  0.00           C  
HETATM   24  C   UNL     1       2.249  -0.220   0.562  1.00  0.00           C  
HETATM   25  O   UNL     1       1.611  -1.132   0.080  1.00  0.00           O  
HETATM   26  C   UNL     1       2.010   0.908   2.776  1.00  0.00           C  
HETATM   27  C   UNL     1       0.900   0.109   3.508  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.362   0.533   2.712  1.00  0.00           C  
HETATM   29  N   UNL     1       3.590  -0.192   0.431  1.00  0.00           N  
HETATM   30  C   UNL     1       4.277  -1.265  -0.293  1.00  0.00           C  
HETATM   31  C   UNL     1       5.760  -0.999  -0.294  1.00  0.00           C  
HETATM   32  C   UNL     1       6.520  -1.311   0.818  1.00  0.00           C  
HETATM   33  C   UNL     1       5.863  -1.916   2.032  1.00  0.00           C  
HETATM   34  N   UNL     1       5.660  -3.354   1.814  1.00  0.00           N  
HETATM   35  C   UNL     1       7.881  -1.068   0.817  1.00  0.00           C  
HETATM   36  C   UNL     1       8.483  -0.512  -0.296  1.00  0.00           C  
HETATM   37  C   UNL     1       7.723  -0.200  -1.410  1.00  0.00           C  
HETATM   38 CL   UNL     1       8.479   0.498  -2.809  1.00  0.00          Cl  
HETATM   39  C   UNL     1       6.363  -0.450  -1.411  1.00  0.00           C  
HETATM   40  H   UNL     1      -5.706   0.552  -0.519  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.008  -0.301   0.879  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.662  -2.632   1.355  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.499  -4.270   1.272  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.349  -3.965  -0.324  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.361  -2.024  -1.839  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.521  -0.389  -1.760  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.139   2.433  -0.759  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.685   3.405   0.919  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.294   4.016   1.846  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.986   4.768  -1.030  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.251   5.791   0.403  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.153   6.416  -0.761  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.815   5.775   0.865  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.661   4.192  -1.740  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.270   4.804  -0.813  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.969   3.440   1.136  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.703   2.418  -0.297  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.483   0.684  -1.678  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.317  -0.656   0.946  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.849   1.187   1.356  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.267   1.624   2.044  1.00  0.00           H  
HETATM   62  H   UNL     1       1.750   1.843   0.832  1.00  0.00           H  
HETATM   63  H   UNL     1       2.975   0.413   2.882  1.00  0.00           H  
HETATM   64  H   UNL     1       2.057   1.932   3.149  1.00  0.00           H  
HETATM   65  H   UNL     1       1.074  -0.964   3.428  1.00  0.00           H  
HETATM   66  H   UNL     1       0.822   0.414   4.552  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.728   1.499   3.062  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.141  -0.224   2.804  1.00  0.00           H  
HETATM   69  H   UNL     1       4.100   0.537   0.816  1.00  0.00           H  
HETATM   70  H   UNL     1       4.079  -2.218   0.197  1.00  0.00           H  
HETATM   71  H   UNL     1       3.913  -1.301  -1.319  1.00  0.00           H  
HETATM   72  H   UNL     1       6.503  -1.767   2.902  1.00  0.00           H  
HETATM   73  H   UNL     1       4.900  -1.434   2.202  1.00  0.00           H  
HETATM   74  H   UNL     1       6.531  -3.812   1.590  1.00  0.00           H  
HETATM   75  H   UNL     1       5.221  -3.783   2.615  1.00  0.00           H  
HETATM   76  H   UNL     1       8.473  -1.311   1.686  1.00  0.00           H  
HETATM   77  H   UNL     1       9.546  -0.322  -0.297  1.00  0.00           H  
HETATM   78  H   UNL     1       5.770  -0.211  -2.282  1.00  0.00           H  
CONECT    1    3    2   40   41                                       
CONECT    2    1   17    9    9                                       
CONECT    2   10   10                                                 
CONECT    3    4    8    8    1                                       
CONECT    4    5    5    3   42                                       
CONECT    5    4    4    6   43                                       
CONECT    6    5    7    7   44                                       
CONECT    7    8    6    6   45                                       
CONECT    8    7    3    3   46                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11   19   12   16   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   11   15   56   57                                       
CONECT   17    2   18   58                                            
CONECT   18   17   19   20   59                                       
CONECT   19   18   11   60   61                                       
CONECT   20   18   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   28                                            
CONECT   23   22   24   26   62                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   63   64                                       
CONECT   27   26   28   65   66                                       
CONECT   28   22   27   67   68                                       
CONECT   29   24   30   69                                            
CONECT   30   29   31   70   71                                       
CONECT   31   30   32   32   39                                       
CONECT   32   31   31   33   35                                       
CONECT   33   32   34   72   73                                       
CONECT   34   33   74   75                                            
CONECT   35   32   36   36   76                                       
CONECT   36   35   35   37   77                                       
CONECT   37   38   36   39   39                                       
CONECT   38   37                                                      
CONECT   39   31   37   37   78                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   23                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
