COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.824   4.860   0.452  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.029   5.762  -0.275  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.173   7.134  -0.012  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.528   3.765  -0.956  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.052   7.514   0.910  1.00  0.00           N  
HETATM    6  N   UNL     1      -7.676   5.333   1.355  1.00  0.00           N  
HETATM    7  C   UNL     1      17.611   4.207  -2.365  1.00  0.00           C  
HETATM    8  S   UNL     1      16.976   4.051  -0.678  1.00  0.00           S  
HETATM    9  C   UNL     1      15.539   3.078  -0.981  1.00  0.00           C  
HETATM   10  C   UNL     1      14.739   2.717   0.046  1.00  0.00           C  
HETATM   11  C   UNL     1      13.586   1.936  -0.197  1.00  0.00           C  
HETATM   12  O   UNL     1      13.314   1.589  -1.333  1.00  0.00           O  
HETATM   13  S   UNL     1      12.543   1.464   1.143  1.00  0.00           S  
HETATM   14  C   UNL     1      11.288   0.519   0.245  1.00  0.00           C  
HETATM   15  C   UNL     1      10.243  -0.007   1.232  1.00  0.00           C  
HETATM   16  N   UNL     1       9.227  -0.772   0.506  1.00  0.00           N  
HETATM   17  C   UNL     1       8.200  -1.334   1.174  1.00  0.00           C  
HETATM   18  O   UNL     1       8.118  -1.206   2.378  1.00  0.00           O  
HETATM   19  C   UNL     1       7.155  -2.122   0.427  1.00  0.00           C  
HETATM   20  C   UNL     1       6.110  -2.647   1.414  1.00  0.00           C  
HETATM   21  N   UNL     1       5.094  -3.412   0.688  1.00  0.00           N  
HETATM   22  C   UNL     1       4.068  -3.974   1.357  1.00  0.00           C  
HETATM   23  O   UNL     1       4.034  -3.926   2.568  1.00  0.00           O  
HETATM   24  C   UNL     1       2.961  -4.662   0.599  1.00  0.00           C  
HETATM   25  O   UNL     1       3.351  -4.830  -0.765  1.00  0.00           O  
HETATM   26  C   UNL     1       1.691  -3.812   0.666  1.00  0.00           C  
HETATM   27  C   UNL     1       1.191  -3.756   2.111  1.00  0.00           C  
HETATM   28  C   UNL     1       2.000  -2.395   0.178  1.00  0.00           C  
HETATM   29  C   UNL     1       0.613  -4.434  -0.223  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.573  -3.640  -0.161  1.00  0.00           O  
HETATM   31  P   UNL     1      -1.913  -4.000  -0.976  1.00  0.00           P  
HETATM   32  O   UNL     1      -1.595  -4.135  -2.415  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.518  -5.388  -0.428  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.996  -2.826  -0.774  1.00  0.00           O  
HETATM   35  P   UNL     1      -4.362  -2.423  -1.525  1.00  0.00           P  
HETATM   36  O   UNL     1      -5.176  -3.637  -1.754  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.015  -1.735  -2.939  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.190  -1.386  -0.613  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.497  -0.919  -0.956  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.991   0.049   0.121  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.186   1.240   0.115  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.440   0.475  -0.183  1.00  0.00           C  
HETATM   43  O   UNL     1      -9.307   0.100   0.889  1.00  0.00           O  
HETATM   44  P   UNL     1     -10.609  -0.824   0.681  1.00  0.00           P  
HETATM   45  O   UNL     1     -10.217  -2.088   0.020  1.00  0.00           O  
HETATM   46  O   UNL     1     -11.270  -1.150   2.113  1.00  0.00           O  
HETATM   47  O   UNL     1     -11.678  -0.047  -0.238  1.00  0.00           O  
HETATM   48  C   UNL     1      -8.365   2.017  -0.305  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.489   2.634   0.326  1.00  0.00           O  
HETATM   50  C   UNL     1      -7.056   2.339   0.459  1.00  0.00           C  
HETATM   51  N   UNL     1      -6.489   3.609  -0.002  1.00  0.00           N  
HETATM   52  N   UNL     1      -5.260   5.028  -1.116  1.00  0.00           N  
HETATM   53  C   UNL     1      -7.777   6.628   1.568  1.00  0.00           C  
HETATM   54  N   UNL     1      -5.416   8.070  -0.696  1.00  0.00           N  
HETATM   55  H   UNL     1      -5.058   2.958  -1.500  1.00  0.00           H  
HETATM   56  H   UNL     1      16.867   4.700  -2.990  1.00  0.00           H  
HETATM   57  H   UNL     1      18.527   4.799  -2.355  1.00  0.00           H  
HETATM   58  H   UNL     1      17.824   3.216  -2.766  1.00  0.00           H  
HETATM   59  H   UNL     1      15.297   2.770  -1.987  1.00  0.00           H  
HETATM   60  H   UNL     1      14.980   3.024   1.053  1.00  0.00           H  
HETATM   61  H   UNL     1      10.803   1.163  -0.488  1.00  0.00           H  
HETATM   62  H   UNL     1      11.760  -0.321  -0.264  1.00  0.00           H  
HETATM   63  H   UNL     1      10.728  -0.651   1.965  1.00  0.00           H  
HETATM   64  H   UNL     1       9.770   0.833   1.742  1.00  0.00           H  
HETATM   65  H   UNL     1       9.293  -0.875  -0.457  1.00  0.00           H  
HETATM   66  H   UNL     1       6.670  -1.477  -0.306  1.00  0.00           H  
HETATM   67  H   UNL     1       7.628  -2.961  -0.082  1.00  0.00           H  
HETATM   68  H   UNL     1       6.595  -3.291   2.148  1.00  0.00           H  
HETATM   69  H   UNL     1       5.637  -1.808   1.924  1.00  0.00           H  
HETATM   70  H   UNL     1       5.160  -3.515  -0.275  1.00  0.00           H  
HETATM   71  H   UNL     1       2.769  -5.639   1.045  1.00  0.00           H  
HETATM   72  H   UNL     1       3.539  -4.001  -1.225  1.00  0.00           H  
HETATM   73  H   UNL     1       1.926  -3.243   2.731  1.00  0.00           H  
HETATM   74  H   UNL     1       0.245  -3.216   2.147  1.00  0.00           H  
HETATM   75  H   UNL     1       1.045  -4.769   2.485  1.00  0.00           H  
HETATM   76  H   UNL     1       2.357  -2.435  -0.851  1.00  0.00           H  
HETATM   77  H   UNL     1       1.096  -1.789   0.226  1.00  0.00           H  
HETATM   78  H   UNL     1       2.768  -1.952   0.812  1.00  0.00           H  
HETATM   79  H   UNL     1       0.970  -4.474  -1.253  1.00  0.00           H  
HETATM   80  H   UNL     1       0.393  -5.443   0.124  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.750  -5.372   0.511  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.482  -0.931  -2.865  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.459  -0.406  -1.916  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.179  -1.766  -1.023  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.940  -0.428   1.100  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.781   0.035  -1.120  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.061  -1.704   2.064  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.981   0.793   0.134  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.292   2.321  -1.349  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.487   3.599   0.277  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.235   2.365   1.534  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.479   6.980   2.310  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.778   7.780  -1.367  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.525   9.014  -0.506  1.00  0.00           H  
CONECT    1   51    6    6    2                                       
CONECT    2   52    1    3    3                                       
CONECT    3    2    2   54    5                                       
CONECT    4   51   52   52   55                                       
CONECT    5    3   53   53                                            
CONECT    6    1    1   53                                            
CONECT    7    8   56   57   58                                       
CONECT    8    9    7                                                 
CONECT    9   10   10    8   59                                       
CONECT   10   11    9    9   60                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11                                                 
CONECT   14   15   13   61   62                                       
CONECT   15   16   14   63   64                                       
CONECT   16   17   15   65                                            
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   66   67                                       
CONECT   20   21   19   68   69                                       
CONECT   21   22   20   70                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   26   71                                       
CONECT   25   24   72                                                 
CONECT   26   24   27   29   28                                       
CONECT   27   26   73   74   75                                       
CONECT   28   26   76   77   78                                       
CONECT   29   30   26   79   80                                       
CONECT   30   31   29                                                 
CONECT   31   32   32   34   30                                       
CONECT   31   33                                                      
CONECT   32   31   31                                                 
CONECT   33   31   81                                                 
CONECT   34   35   31                                                 
CONECT   35   36   36   37   34                                       
CONECT   35   38                                                      
CONECT   36   35   35                                                 
CONECT   37   35   82                                                 
CONECT   38   35   39                                                 
CONECT   39   38   40   83   84                                       
CONECT   40   42   39   41   85                                       
CONECT   41   40   50                                                 
CONECT   42   48   43   40   86                                       
CONECT   43   44   42                                                 
CONECT   44   45   45   47   46                                       
CONECT   44   43                                                      
CONECT   45   44   44                                                 
CONECT   46   44   87                                                 
CONECT   47   44   88                                                 
CONECT   48   42   49   50   89                                       
CONECT   49   48   90                                                 
CONECT   50   48   41   51   91                                       
CONECT   51   50    4    1                                            
CONECT   52    4    4    2                                            
CONECT   53    6    5    5   92                                       
CONECT   54    3   93   94                                            
CONECT   55    4                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   33                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   42                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   49                                                      
CONECT   91   50                                                      
CONECT   92   53                                                      
CONECT   93   54                                                      
CONECT   94   54                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
