COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.977  -1.344   0.501  1.00  0.00           C  
HETATM    2  C   UNL     1       3.995  -0.830  -0.671  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.732   0.132   0.682  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.354   1.684   1.914  1.00  0.00           C  
HETATM    5  C   UNL     1       5.416  -1.257   1.339  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.107   1.667   1.028  1.00  0.00           C  
HETATM    7  C   UNL     1       0.926   0.752   1.633  1.00  0.00           C  
HETATM    8  C   UNL     1       3.119  -0.310   1.610  1.00  0.00           C  
HETATM    9  C   UNL     1       4.367  -0.327   0.725  1.00  0.00           C  
HETATM   10  C   UNL     1       6.663  -1.273   0.454  1.00  0.00           C  
HETATM   11  C   UNL     1       7.234   0.142   0.351  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.953   0.330   1.919  1.00  0.00           N  
HETATM   13  N   UNL     1       2.115   0.580   1.022  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.249  -2.260   1.238  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.975   3.634   2.044  1.00  0.00           N  
HETATM   16 CL   UNL     1      -3.708  -5.752  -0.038  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -3.426  -4.052   0.171  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.473  -3.614   1.073  1.00  0.00           C  
HETATM   19  C   UNL     1       5.243  -0.847  -1.556  1.00  0.00           C  
HETATM   20  C   UNL     1       6.291  -1.776  -0.942  1.00  0.00           C  
HETATM   21  C   UNL     1       5.814   0.569  -1.660  1.00  0.00           C  
HETATM   22  C   UNL     1       6.186   1.072  -0.264  1.00  0.00           C  
HETATM   23  C   UNL     1       4.938   1.089   0.622  1.00  0.00           C  
HETATM   24  O   UNL     1       0.688   0.170   2.671  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.291   2.733   1.406  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.604   4.381   1.200  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.365   3.972  -0.025  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.885   4.587  -1.298  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.565   2.902   0.081  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.049   1.983  -0.844  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.066   0.662  -0.562  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.433  -0.106  -1.535  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.265  -1.597  -1.394  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.985   0.560  -2.598  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.288  -0.061  -3.780  1.00  0.00           C  
HETATM   36  S   UNL     1      -1.332   2.275  -2.411  1.00  0.00           S  
HETATM   37  C   UNL     1      -3.932  -1.781  -0.397  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.162  -3.134  -0.558  1.00  0.00           C  
HETATM   39  H   UNL     1       3.588  -1.839  -0.598  1.00  0.00           H  
HETATM   40  H   UNL     1       3.248  -0.168  -1.109  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.694   0.630   0.798  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.057   1.941   2.931  1.00  0.00           H  
HETATM   43  H   UNL     1       5.681  -0.898   2.334  1.00  0.00           H  
HETATM   44  H   UNL     1       5.009  -2.265   1.413  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.372   1.309   0.034  1.00  0.00           H  
HETATM   46  H   UNL     1       0.300   2.676   0.955  1.00  0.00           H  
HETATM   47  H   UNL     1       2.712  -1.319   1.684  1.00  0.00           H  
HETATM   48  H   UNL     1       3.384   0.048   2.605  1.00  0.00           H  
HETATM   49  H   UNL     1       7.411  -1.935   0.892  1.00  0.00           H  
HETATM   50  H   UNL     1       7.499   0.501   1.345  1.00  0.00           H  
HETATM   51  H   UNL     1       8.123   0.131  -0.280  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.531   0.193   2.735  1.00  0.00           H  
HETATM   53  H   UNL     1       2.306   1.045   0.193  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.505  -1.918   1.942  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.905  -4.330   1.648  1.00  0.00           H  
HETATM   56  H   UNL     1       4.978  -1.205  -2.551  1.00  0.00           H  
HETATM   57  H   UNL     1       7.180  -1.788  -1.573  1.00  0.00           H  
HETATM   58  H   UNL     1       5.885  -2.785  -0.868  1.00  0.00           H  
HETATM   59  H   UNL     1       6.703   0.557  -2.290  1.00  0.00           H  
HETATM   60  H   UNL     1       5.067   1.231  -2.097  1.00  0.00           H  
HETATM   61  H   UNL     1       6.593   2.080  -0.337  1.00  0.00           H  
HETATM   62  H   UNL     1       4.191   1.751   0.184  1.00  0.00           H  
HETATM   63  H   UNL     1       5.203   1.447   1.616  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.185   5.346  -1.648  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.990   3.813  -2.059  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.855   5.046  -1.110  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.183  -2.097  -1.704  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.440  -1.931  -2.023  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.051  -1.842  -0.354  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.027  -0.343  -4.531  1.00  0.00           H  
HETATM   71  H   UNL     1       0.409   0.658  -4.210  1.00  0.00           H  
HETATM   72  H   UNL     1       0.257  -0.947  -3.457  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.500  -1.065  -0.972  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.906  -3.476  -1.263  1.00  0.00           H  
CONECT    1   37   37   14    3                                       
CONECT    2   19    9   39   40                                       
CONECT    3    1   12   31   41                                       
CONECT    4   12    6   25   42                                       
CONECT    5   10    9   43   44                                       
CONECT    6    7    4   45   46                                       
CONECT    7   13   24   24    6                                       
CONECT    8    9   13   47   48                                       
CONECT    9    5   23    2    8                                       
CONECT   10   11   20    5   49                                       
CONECT   11   10   22   50   51                                       
CONECT   12    3    4   52                                            
CONECT   13    8    7   53                                            
CONECT   14   18   18    1   54                                       
CONECT   15   25   25   26                                            
CONECT   16   17                                                      
CONECT   17   16   38   38   18                                       
CONECT   18   17   14   14   55                                       
CONECT   19   20   21    2   56                                       
CONECT   20   10   19   57   58                                       
CONECT   21   22   19   59   60                                       
CONECT   22   11   21   23   61                                       
CONECT   23   22    9   62   63                                       
CONECT   24    7    7                                                 
CONECT   25    4   15   15   29                                       
CONECT   26   15   27   27                                            
CONECT   27   29   26   26   28                                       
CONECT   28   27   64   65   66                                       
CONECT   29   25   30   27                                            
CONECT   30   31   31   29   36                                       
CONECT   31    3   32   30   30                                       
CONECT   32   33   31   34   34                                       
CONECT   33   32   67   68   69                                       
CONECT   34   32   32   35   36                                       
CONECT   35   34   70   71   72                                       
CONECT   36   30   34                                                 
CONECT   37   38    1    1   73                                       
CONECT   38   17   17   37   74                                       
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
