COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.852  -2.001   0.431  1.00  0.00           C  
HETATM    2  C   UNL     1      16.419  -2.276   0.056  1.00  0.00           C  
HETATM    3  C   UNL     1      15.681  -1.317  -0.527  1.00  0.00           C  
HETATM    4  C   UNL     1      14.221  -1.277  -0.315  1.00  0.00           C  
HETATM    5  C   UNL     1      11.591  -0.572  -0.587  1.00  0.00           C  
HETATM    6  C   UNL     1      10.530   0.281  -1.285  1.00  0.00           C  
HETATM    7  O   UNL     1      13.708  -1.998   0.519  1.00  0.00           O  
HETATM    8  O   UNL     1       7.500  -0.020  -2.370  1.00  0.00           O  
HETATM    9  O   UNL     1       4.104   3.886  -1.445  1.00  0.00           O  
HETATM   10  O   UNL     1       3.435   3.249   1.959  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.560   2.966   0.911  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.679   2.132   3.140  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.135   4.439   2.223  1.00  0.00           O  
HETATM   14  S   UNL     1      13.222  -0.185  -1.270  1.00  0.00           S  
HETATM   15  N   UNL     1       9.206  -0.033  -0.730  1.00  0.00           N  
HETATM   16  C   UNL     1       8.160   0.769  -1.378  1.00  0.00           C  
HETATM   17  C   UNL     1       7.143   1.224  -0.329  1.00  0.00           C  
HETATM   18  C   UNL     1       6.124   2.161  -0.979  1.00  0.00           C  
HETATM   19  N   UNL     1       5.151   2.597   0.026  1.00  0.00           N  
HETATM   20  C   UNL     1       4.152   3.433  -0.322  1.00  0.00           C  
HETATM   21  C   UNL     1       3.096   3.804   0.687  1.00  0.00           C  
HETATM   22  C   UNL     1       1.742   3.253   0.234  1.00  0.00           C  
HETATM   23  C   UNL     1       1.299   3.972  -1.042  1.00  0.00           C  
HETATM   24  C   UNL     1       1.870   1.754  -0.043  1.00  0.00           C  
HETATM   25  C   UNL     1       0.704   3.482   1.334  1.00  0.00           C  
HETATM   26  P   UNL     1      -1.885   3.036   1.824  1.00  0.00           P  
HETATM   27  O   UNL     1      -3.143   2.484   0.985  1.00  0.00           O  
HETATM   28  P   UNL     1      -4.739   2.649   1.123  1.00  0.00           P  
HETATM   29  O   UNL     1      -5.119   2.587   2.553  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.187   4.069   0.510  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.473   1.462   0.321  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.889   1.270   0.339  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.250   0.060  -0.524  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.798  -1.159   0.105  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.589  -2.211  -0.489  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.592  -3.396   0.372  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.363  -3.417   1.716  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.443  -4.637   2.161  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.727  -5.474   1.135  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.925  -6.860   1.016  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.840  -7.685   2.124  1.00  0.00           N  
HETATM   42  N   UNL     1      -8.196  -7.360  -0.185  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.279  -6.581  -1.248  1.00  0.00           C  
HETATM   44  N   UNL     1      -8.101  -5.278  -1.184  1.00  0.00           N  
HETATM   45  C   UNL     1      -7.832  -4.687  -0.024  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.012  -1.621  -0.598  1.00  0.00           C  
HETATM   47  O   UNL     1      -9.642  -2.052  -1.806  1.00  0.00           O  
HETATM   48  C   UNL     1      -8.784  -0.093  -0.621  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.267   0.467  -1.844  1.00  0.00           O  
HETATM   50  P   UNL     1     -10.329   1.675  -1.897  1.00  0.00           P  
HETATM   51  O   UNL     1     -10.743   1.959  -3.427  1.00  0.00           O  
HETATM   52  O   UNL     1     -11.534   1.306  -1.121  1.00  0.00           O  
HETATM   53  O   UNL     1      -9.668   3.000  -1.265  1.00  0.00           O  
HETATM   54  C   UNL     1      15.825  -3.598   0.331  1.00  0.00           C  
HETATM   55  O   UNL     1      16.521  -4.517   1.028  1.00  0.00           O  
HETATM   56  O   UNL     1      14.709  -3.858  -0.072  1.00  0.00           O  
HETATM   57  H   UNL     1      18.502  -2.263  -0.403  1.00  0.00           H  
HETATM   58  H   UNL     1      17.970  -0.943   0.665  1.00  0.00           H  
HETATM   59  H   UNL     1      18.121  -2.598   1.303  1.00  0.00           H  
HETATM   60  H   UNL     1      16.157  -0.575  -1.152  1.00  0.00           H  
HETATM   61  H   UNL     1      11.584  -0.358   0.481  1.00  0.00           H  
HETATM   62  H   UNL     1      11.371  -1.628  -0.748  1.00  0.00           H  
HETATM   63  H   UNL     1      10.749   1.337  -1.124  1.00  0.00           H  
HETATM   64  H   UNL     1      10.536   0.067  -2.353  1.00  0.00           H  
HETATM   65  H   UNL     1       7.075  -0.815  -2.021  1.00  0.00           H  
HETATM   66  H   UNL     1       3.505   2.284   1.961  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.510   1.199   2.953  1.00  0.00           H  
HETATM   68  H   UNL     1       9.193   0.095   0.270  1.00  0.00           H  
HETATM   69  H   UNL     1       8.611   1.642  -1.849  1.00  0.00           H  
HETATM   70  H   UNL     1       6.629   0.354   0.079  1.00  0.00           H  
HETATM   71  H   UNL     1       7.660   1.750   0.474  1.00  0.00           H  
HETATM   72  H   UNL     1       6.639   3.031  -1.387  1.00  0.00           H  
HETATM   73  H   UNL     1       5.607   1.635  -1.782  1.00  0.00           H  
HETATM   74  H   UNL     1       5.225   2.283   0.941  1.00  0.00           H  
HETATM   75  H   UNL     1       3.037   4.890   0.768  1.00  0.00           H  
HETATM   76  H   UNL     1       1.935   3.663  -1.872  1.00  0.00           H  
HETATM   77  H   UNL     1       0.263   3.715  -1.263  1.00  0.00           H  
HETATM   78  H   UNL     1       1.385   5.049  -0.900  1.00  0.00           H  
HETATM   79  H   UNL     1       2.609   1.591  -0.828  1.00  0.00           H  
HETATM   80  H   UNL     1       2.185   1.241   0.865  1.00  0.00           H  
HETATM   81  H   UNL     1       0.905   1.361  -0.366  1.00  0.00           H  
HETATM   82  H   UNL     1       0.614   4.550   1.532  1.00  0.00           H  
HETATM   83  H   UNL     1       1.020   2.969   2.243  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.969   4.180  -0.425  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.219   1.098   1.363  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.381   2.158  -0.057  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.815   0.159  -1.518  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.205  -2.461  -1.479  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.147  -2.549   2.321  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.642  -7.308   2.995  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.979  -8.641   2.029  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.502  -7.029  -2.205  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.610  -1.905   0.268  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.755  -3.010  -1.871  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.270   0.379   0.233  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.382   2.677  -3.535  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.872   3.299  -1.725  1.00  0.00           H  
HETATM   98  H   UNL     1      16.091  -5.369   1.183  1.00  0.00           H  
CONECT    1    2   57   58   59                                       
CONECT    2    3    3    1   54                                       
CONECT    3    4    2    2   60                                       
CONECT    4   14    3    7    7                                       
CONECT    5    6   14   61   62                                       
CONECT    6   15    5   63   64                                       
CONECT    7    4    4                                                 
CONECT    8   16   65                                                 
CONECT    9   20   20                                                 
CONECT   10   21   66                                                 
CONECT   11   26   25                                                 
CONECT   12   26   67                                                 
CONECT   13   26   26                                                 
CONECT   14    5    4                                                 
CONECT   15   16    6   68                                            
CONECT   16    8   17   15   69                                       
CONECT   17   18   16   70   71                                       
CONECT   18   19   17   72   73                                       
CONECT   19   18   20   74                                            
CONECT   20    9    9   19   21                                       
CONECT   21   22   20   10   75                                       
CONECT   22   25   24   23   21                                       
CONECT   23   22   76   77   78                                       
CONECT   24   22   79   80   81                                       
CONECT   25   11   22   82   83                                       
CONECT   26   13   13   27   12                                       
CONECT   26   11                                                      
CONECT   27   28   26                                                 
CONECT   28   31   27   29   29                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   84                                                 
CONECT   31   32   28                                                 
CONECT   32   31   33   85   86                                       
CONECT   33   34   32   48   87                                       
CONECT   34   35   33                                                 
CONECT   35   36   34   46   88                                       
CONECT   36   45   37   35                                            
CONECT   37   38   38   36   89                                       
CONECT   38   39   37   37                                            
CONECT   39   40   38   45   45                                       
CONECT   40   41   42   42   39                                       
CONECT   41   40   90   91                                            
CONECT   42   40   40   43                                            
CONECT   43   42   44   44   92                                       
CONECT   44   43   43   45                                            
CONECT   45   39   39   44   36                                       
CONECT   46   35   48   47   93                                       
CONECT   47   46   94                                                 
CONECT   48   33   46   49   95                                       
CONECT   49   48   50                                                 
CONECT   50   49   52   52   51                                       
CONECT   50   53                                                      
CONECT   51   50   96                                                 
CONECT   52   50   50                                                 
CONECT   53   50   97                                                 
CONECT   54    2   56   56   55                                       
CONECT   55   54   98                                                 
CONECT   56   54   54                                                 
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   12                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   30                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   35                                                      
CONECT   89   37                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   43                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   51                                                      
CONECT   97   53                                                      
CONECT   98   55                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
