COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.423   0.853  -0.431  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.901  -1.072  -1.676  1.00  0.00           C  
HETATM    3  O   UNL     1      -9.148  -2.461  -1.419  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.031  -3.053  -0.749  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.960  -1.957  -0.568  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.348  -0.920  -1.652  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.146   0.496  -1.080  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.030   0.494  -0.067  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.286   0.426   1.116  1.00  0.00           O  
HETATM   10  O   UNL     1      -9.323  -0.303  -0.531  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.748   0.568  -0.477  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.664   0.566   0.508  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.310  -0.877   0.874  1.00  0.00           C  
HETATM   14  S   UNL     1      -4.767  -1.696   1.578  1.00  0.00           S  
HETATM   15  C   UNL     1      -4.160  -3.366   1.943  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.453   1.247  -0.077  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.493   1.690  -1.205  1.00  0.00           O  
HETATM   18  C   UNL     1       0.945   3.763  -2.060  1.00  0.00           C  
HETATM   19  C   UNL     1       1.113   5.551  -0.323  1.00  0.00           C  
HETATM   20  C   UNL     1       1.064   4.040  -0.560  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.146   3.449   0.166  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.327   1.363   0.654  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.116   1.924   0.049  1.00  0.00           C  
HETATM   24  C   UNL     1       1.116   1.381   0.776  1.00  0.00           C  
HETATM   25  O   UNL     1       1.057   1.752   2.155  1.00  0.00           O  
HETATM   26  C   UNL     1       1.146  -0.145   0.659  1.00  0.00           C  
HETATM   27  C   UNL     1       2.438  -0.678   1.281  1.00  0.00           C  
HETATM   28  C   UNL     1       2.398  -2.207   1.306  1.00  0.00           C  
HETATM   29  C   UNL     1       3.617  -0.220   0.461  1.00  0.00           C  
HETATM   30  O   UNL     1       3.441   0.467  -0.523  1.00  0.00           O  
HETATM   31  N   UNL     1       4.866  -0.572   0.822  1.00  0.00           N  
HETATM   32  C   UNL     1       6.012  -0.126   0.026  1.00  0.00           C  
HETATM   33  C   UNL     1       7.160  -1.083   0.218  1.00  0.00           C  
HETATM   34  O   UNL     1       7.153  -1.860   1.149  1.00  0.00           O  
HETATM   35  C   UNL     1       6.434   1.273   0.477  1.00  0.00           C  
HETATM   36  C   UNL     1       5.309   2.266   0.178  1.00  0.00           C  
HETATM   37  C   UNL     1       6.716   1.261   1.981  1.00  0.00           C  
HETATM   38  C   UNL     1      11.473  -2.812  -1.416  1.00  0.00           C  
HETATM   39  C   UNL     1      10.303  -1.847  -1.618  1.00  0.00           C  
HETATM   40  C   UNL     1       9.670  -2.092  -2.989  1.00  0.00           C  
HETATM   41  C   UNL     1       9.258  -2.077  -0.524  1.00  0.00           C  
HETATM   42  N   UNL     1       8.196  -1.075  -0.646  1.00  0.00           N  
HETATM   43  H   UNL     1      -8.833   1.668  -0.862  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.347  -0.721  -2.606  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.341  -3.430   0.225  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.628  -3.867  -1.351  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.021  -1.517   0.427  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.963  -2.356  -0.755  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.869  -1.091  -2.616  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.924   1.198  -1.884  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.544   0.622  -1.423  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.984   1.100   1.403  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.990  -1.411  -0.020  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.503  -0.878   1.607  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.818  -3.838   1.021  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.331  -3.305   2.649  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.965  -3.959   2.378  1.00  0.00           H  
HETATM   58  H   UNL     1       1.824   4.152  -2.572  1.00  0.00           H  
HETATM   59  H   UNL     1       0.873   2.688  -2.226  1.00  0.00           H  
HETATM   60  H   UNL     1       0.052   4.251  -2.450  1.00  0.00           H  
HETATM   61  H   UNL     1       1.975   5.972  -0.840  1.00  0.00           H  
HETATM   62  H   UNL     1       0.200   6.008  -0.706  1.00  0.00           H  
HETATM   63  H   UNL     1       1.198   5.749   0.746  1.00  0.00           H  
HETATM   64  H   UNL     1       1.976   3.583  -0.177  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.113   3.733   1.218  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.062   3.830  -0.285  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.318   1.076   1.580  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.071   1.641  -1.003  1.00  0.00           H  
HETATM   69  H   UNL     1       2.017   1.798   0.326  1.00  0.00           H  
HETATM   70  H   UNL     1       0.279   1.414   2.620  1.00  0.00           H  
HETATM   71  H   UNL     1       0.289  -0.566   1.184  1.00  0.00           H  
HETATM   72  H   UNL     1       1.104  -0.429  -0.392  1.00  0.00           H  
HETATM   73  H   UNL     1       2.535  -0.301   2.299  1.00  0.00           H  
HETATM   74  H   UNL     1       3.278  -2.585   1.828  1.00  0.00           H  
HETATM   75  H   UNL     1       1.498  -2.539   1.824  1.00  0.00           H  
HETATM   76  H   UNL     1       2.391  -2.587   0.284  1.00  0.00           H  
HETATM   77  H   UNL     1       5.007  -1.121   1.610  1.00  0.00           H  
HETATM   78  H   UNL     1       5.734  -0.099  -1.028  1.00  0.00           H  
HETATM   79  H   UNL     1       7.334   1.572  -0.059  1.00  0.00           H  
HETATM   80  H   UNL     1       4.408   1.967   0.715  1.00  0.00           H  
HETATM   81  H   UNL     1       5.609   3.264   0.500  1.00  0.00           H  
HETATM   82  H   UNL     1       5.108   2.276  -0.893  1.00  0.00           H  
HETATM   83  H   UNL     1       5.798   1.032   2.521  1.00  0.00           H  
HETATM   84  H   UNL     1       7.467   0.502   2.203  1.00  0.00           H  
HETATM   85  H   UNL     1       7.086   2.239   2.290  1.00  0.00           H  
HETATM   86  H   UNL     1      11.924  -2.637  -0.440  1.00  0.00           H  
HETATM   87  H   UNL     1      11.110  -3.839  -1.470  1.00  0.00           H  
HETATM   88  H   UNL     1      12.217  -2.648  -2.195  1.00  0.00           H  
HETATM   89  H   UNL     1      10.665  -0.820  -1.563  1.00  0.00           H  
HETATM   90  H   UNL     1       9.307  -3.119  -3.043  1.00  0.00           H  
HETATM   91  H   UNL     1       8.836  -1.405  -3.132  1.00  0.00           H  
HETATM   92  H   UNL     1      10.414  -1.928  -3.767  1.00  0.00           H  
HETATM   93  H   UNL     1       8.831  -3.074  -0.634  1.00  0.00           H  
HETATM   94  H   UNL     1       9.730  -1.989   0.454  1.00  0.00           H  
HETATM   95  H   UNL     1       8.237  -0.407  -1.347  1.00  0.00           H  
CONECT    1   10    7   43                                            
CONECT    2    3   10    6   44                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   46   45                                       
CONECT    5    4    6   48   47                                       
CONECT    6    2    5    7   49                                       
CONECT    7    6    1    8   50                                       
CONECT    8    7    9    9   11                                       
CONECT    9    8    8                                                 
CONECT   10    2    1                                                 
CONECT   11    8   12   51                                            
CONECT   12   11   16   13   52                                       
CONECT   13   12   14   54   53                                       
CONECT   14   13   15                                                 
CONECT   15   14   55   57   56                                       
CONECT   16   22   12   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   20   59   60   58                                       
CONECT   19   20   63   61   62                                       
CONECT   20   19   21   18   64                                       
CONECT   21   20   23   65   66                                       
CONECT   22   23   16   67                                            
CONECT   23   21   22   24   68                                       
CONECT   24   25   23   26   69                                       
CONECT   25   24   70                                                 
CONECT   26   24   27   72   71                                       
CONECT   27   26   29   28   73                                       
CONECT   28   27   75   74   76                                       
CONECT   29   27   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   77                                            
CONECT   32   31   35   33   78                                       
CONECT   33   32   34   34   42                                       
CONECT   34   33   33                                                 
CONECT   35   37   36   32   79                                       
CONECT   36   35   80   81   82                                       
CONECT   37   35   83   84   85                                       
CONECT   38   39   88   87   86                                       
CONECT   39   40   41   38   89                                       
CONECT   40   39   91   90   92                                       
CONECT   41   42   39   94   93                                       
CONECT   42   33   41   95                                            
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
