COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.314   0.121  -1.620  1.00  0.00           O  
HETATM    2  C   UNL     1       1.133   0.412   2.620  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.193  -2.565   0.289  1.00  0.00           N  
HETATM    4  C   UNL     1       2.630   0.481   2.306  1.00  0.00           C  
HETATM    5  C   UNL     1       2.820   0.887   0.842  1.00  0.00           C  
HETATM    6  C   UNL     1       7.485  -0.151  -2.466  1.00  0.00           C  
HETATM    7  C   UNL     1       9.125  -1.614  -3.519  1.00  0.00           C  
HETATM    8  C   UNL     1       3.983   2.741  -1.181  1.00  0.00           C  
HETATM    9  C   UNL     1       4.980   3.354  -2.196  1.00  0.00           C  
HETATM   10  C   UNL     1       6.338   2.765  -1.740  1.00  0.00           C  
HETATM   11  N   UNL     1       0.491  -0.567   1.735  1.00  0.00           N  
HETATM   12  N   UNL     1       7.792  -1.009  -3.459  1.00  0.00           N  
HETATM   13  C   UNL     1       6.000   1.321  -1.315  1.00  0.00           C  
HETATM   14  C   UNL     1       4.500   1.304  -0.959  1.00  0.00           C  
HETATM   15  C   UNL     1       4.313   0.899   0.504  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.452   3.486  -0.441  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.386   2.458   1.396  1.00  0.00           C  
HETATM   18  C   UNL     1       5.029   1.905   1.406  1.00  0.00           C  
HETATM   19  C   UNL     1       5.954   0.241   2.884  1.00  0.00           C  
HETATM   20  N   UNL     1      -8.987   3.543   0.763  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.919  -0.761   2.100  1.00  0.00           C  
HETATM   22  S   UNL     1      -8.516  -0.456  -1.236  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.922  -2.331   1.720  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.486  -1.955   1.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.448  -2.068  -0.071  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.587  -1.288  -1.212  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.291   2.275  -1.087  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.700   1.112  -0.452  1.00  0.00           C  
HETATM   29  O   UNL     1      -8.462  -0.202  -2.633  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.934  -1.083  -0.783  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.829  -0.798  -1.564  1.00  0.00           C  
HETATM   32  O   UNL     1      -9.476  -1.318  -0.640  1.00  0.00           O  
HETATM   33  C   UNL     1      -9.258   1.211   0.813  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.800  -1.864   0.351  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.561  -2.357   0.709  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.131  -1.587  -0.014  1.00  0.00           C  
HETATM   37  C   UNL     1       0.620  -0.173   0.326  1.00  0.00           C  
HETATM   38  C   UNL     1       2.101  -0.122  -0.057  1.00  0.00           C  
HETATM   39  N   UNL     1       5.035   1.379   2.780  1.00  0.00           N  
HETATM   40  C   UNL     1       5.388   2.429   3.744  1.00  0.00           C  
HETATM   41  C   UNL     1       4.885  -0.479   0.719  1.00  0.00           C  
HETATM   42  C   UNL     1       4.630  -1.456  -0.232  1.00  0.00           C  
HETATM   43  C   UNL     1       5.133  -2.732  -0.072  1.00  0.00           C  
HETATM   44  C   UNL     1       5.893  -3.038   1.041  1.00  0.00           C  
HETATM   45  C   UNL     1       6.148  -2.065   1.987  1.00  0.00           C  
HETATM   46  C   UNL     1       5.646  -0.782   1.828  1.00  0.00           C  
HETATM   47  O   UNL     1       6.260   0.406  -2.412  1.00  0.00           O  
HETATM   48  H   UNL     1       0.994   0.110   3.658  1.00  0.00           H  
HETATM   49  H   UNL     1       0.684   1.393   2.464  1.00  0.00           H  
HETATM   50  H   UNL     1       3.104   1.219   2.953  1.00  0.00           H  
HETATM   51  H   UNL     1       3.082  -0.496   2.474  1.00  0.00           H  
HETATM   52  H   UNL     1       2.402   1.881   0.682  1.00  0.00           H  
HETATM   53  H   UNL     1       9.877  -0.830  -3.607  1.00  0.00           H  
HETATM   54  H   UNL     1       9.304  -2.188  -2.610  1.00  0.00           H  
HETATM   55  H   UNL     1       9.186  -2.275  -4.384  1.00  0.00           H  
HETATM   56  H   UNL     1       3.998   3.300  -0.246  1.00  0.00           H  
HETATM   57  H   UNL     1       2.976   2.724  -1.598  1.00  0.00           H  
HETATM   58  H   UNL     1       4.742   3.035  -3.211  1.00  0.00           H  
HETATM   59  H   UNL     1       4.984   4.441  -2.125  1.00  0.00           H  
HETATM   60  H   UNL     1       7.050   2.763  -2.565  1.00  0.00           H  
HETATM   61  H   UNL     1       6.733   3.329  -0.895  1.00  0.00           H  
HETATM   62  H   UNL     1       7.130  -1.225  -4.135  1.00  0.00           H  
HETATM   63  H   UNL     1       6.593   1.039  -0.445  1.00  0.00           H  
HETATM   64  H   UNL     1       3.969   0.609  -1.610  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.141   4.397  -0.931  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.819   2.544   2.382  1.00  0.00           H  
HETATM   67  H   UNL     1       6.054   2.040   1.061  1.00  0.00           H  
HETATM   68  H   UNL     1       4.502   2.859   1.381  1.00  0.00           H  
HETATM   69  H   UNL     1       6.978   0.592   2.757  1.00  0.00           H  
HETATM   70  H   UNL     1       5.850  -0.215   3.868  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.994  -0.950   3.170  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.486   0.136   1.849  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.489  -1.500   2.139  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.985  -3.234   2.327  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.801  -2.802   1.279  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.724  -1.064  -1.822  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.853   2.235  -2.073  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.938  -0.191  -2.451  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.587   0.326   1.337  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.665  -2.088   0.956  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.457  -2.967   1.594  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.523  -1.861  -0.877  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.487  -0.558  -0.058  1.00  0.00           H  
HETATM   84  H   UNL     1       0.107  -0.901  -0.303  1.00  0.00           H  
HETATM   85  H   UNL     1       0.173   0.810   0.181  1.00  0.00           H  
HETATM   86  H   UNL     1       2.197   0.185  -1.099  1.00  0.00           H  
HETATM   87  H   UNL     1       2.545  -1.109   0.074  1.00  0.00           H  
HETATM   88  H   UNL     1       4.659   3.238   3.683  1.00  0.00           H  
HETATM   89  H   UNL     1       5.385   2.013   4.752  1.00  0.00           H  
HETATM   90  H   UNL     1       6.380   2.816   3.514  1.00  0.00           H  
HETATM   91  H   UNL     1       4.036  -1.217  -1.101  1.00  0.00           H  
HETATM   92  H   UNL     1       4.932  -3.490  -0.815  1.00  0.00           H  
HETATM   93  H   UNL     1       6.286  -4.035   1.171  1.00  0.00           H  
HETATM   94  H   UNL     1       6.742  -2.305   2.857  1.00  0.00           H  
CONECT    1    6    6                                                 
CONECT    2   11    4   48   49                                       
CONECT    3   25   23   36                                            
CONECT    4    2    5   50   51                                       
CONECT    5    4   38   15   52                                       
CONECT    6   12   47    1    1                                       
CONECT    7   12   53   54   55                                       
CONECT    8   14    9   56   57                                       
CONECT    9   10    8   58   59                                       
CONECT   10   13    9   60   61                                       
CONECT   11   21    2   37                                            
CONECT   12    7    6   62                                            
CONECT   13   47   10   14   63                                       
CONECT   14   13   15    8   64                                       
CONECT   15    5   14   18   41                                       
CONECT   16   20   20   27   65                                       
CONECT   17   20   33   33   66                                       
CONECT   18   15   39   67   68                                       
CONECT   19   39   46   69   70                                       
CONECT   20   16   16   17                                            
CONECT   21   24   11   71   72                                       
CONECT   22   28   29   29   30                                       
CONECT   22   32   32                                                 
CONECT   23    3   24   73   74                                       
CONECT   24   23   36   21   75                                       
CONECT   25   26    3   35   35                                       
CONECT   26   31   31   25   76                                       
CONECT   27   16   28   28   77                                       
CONECT   28   27   27   33   22                                       
CONECT   29   22   22                                                 
CONECT   30   22   31   34   34                                       
CONECT   31   26   26   30   78                                       
CONECT   32   22   22                                                 
CONECT   33   17   17   28   79                                       
CONECT   34   30   30   35   80                                       
CONECT   35   25   25   34   81                                       
CONECT   36    3   24   82   83                                       
CONECT   37   11   38   84   85                                       
CONECT   38   37    5   86   87                                       
CONECT   39   18   40   19                                            
CONECT   40   39   88   89   90                                       
CONECT   41   15   42   42   46                                       
CONECT   42   41   41   43   91                                       
CONECT   43   42   44   44   92                                       
CONECT   44   43   43   45   93                                       
CONECT   45   46   46   44   94                                       
CONECT   46   41   19   45   45                                       
CONECT   47    6   13                                                 
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
