COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.340   4.510  -2.355  1.00  0.00           C  
HETATM    2  C   UNL     1       0.916   5.769  -1.595  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.226   6.457  -2.346  1.00  0.00           C  
HETATM    4  C   UNL     1       0.444   5.383  -0.192  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.667   4.490  -0.292  1.00  0.00           O  
HETATM    6  P   UNL     1      -1.419   3.878   0.994  1.00  0.00           P  
HETATM    7  O   UNL     1      -0.407   2.923   1.804  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.867   4.981   1.874  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.695   3.023   0.513  1.00  0.00           O  
HETATM   10  P   UNL     1      -4.042   2.520   1.237  1.00  0.00           P  
HETATM   11  O   UNL     1      -5.104   3.729   1.295  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.726   2.076   2.613  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.671   1.292   0.408  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.814   0.557   0.852  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.144  -0.535  -0.167  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.095  -1.517  -0.188  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.717  -2.794  -0.448  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.016  -2.741   0.395  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.011  -3.614  -0.145  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.443  -1.257   0.242  1.00  0.00           C  
HETATM   21  O   UNL     1      -8.436  -1.125  -0.777  1.00  0.00           O  
HETATM   22  P   UNL     1      -9.896  -0.505  -0.504  1.00  0.00           P  
HETATM   23  O   UNL     1     -10.548  -1.247   0.599  1.00  0.00           O  
HETATM   24  O   UNL     1      -9.754   1.046  -0.097  1.00  0.00           O  
HETATM   25  O   UNL     1     -10.791  -0.631  -1.837  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.854  -3.889   0.002  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.883  -3.812   0.956  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.313  -4.972   1.105  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.881  -5.866   0.260  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.686  -7.230  -0.012  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.717  -7.955   0.660  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.453  -7.809  -0.930  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.380  -7.126  -1.576  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.598  -5.846  -1.354  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.880  -5.183  -0.454  1.00  0.00           C  
HETATM   36  C   UNL     1       2.105   6.726  -1.488  1.00  0.00           C  
HETATM   37  O   UNL     1       1.677   7.954  -0.898  1.00  0.00           O  
HETATM   38  C   UNL     1       3.176   6.102  -0.629  1.00  0.00           C  
HETATM   39  O   UNL     1       3.432   6.575   0.458  1.00  0.00           O  
HETATM   40  N   UNL     1       3.848   5.020  -1.069  1.00  0.00           N  
HETATM   41  C   UNL     1       4.819   4.356  -0.197  1.00  0.00           C  
HETATM   42  C   UNL     1       5.435   3.165  -0.933  1.00  0.00           C  
HETATM   43  C   UNL     1       6.435   2.482  -0.035  1.00  0.00           C  
HETATM   44  O   UNL     1       6.634   2.906   1.083  1.00  0.00           O  
HETATM   45  N   UNL     1       7.107   1.400  -0.476  1.00  0.00           N  
HETATM   46  C   UNL     1       8.078   0.735   0.397  1.00  0.00           C  
HETATM   47  C   UNL     1       8.694  -0.456  -0.339  1.00  0.00           C  
HETATM   48  S   UNL     1       9.895  -1.276   0.739  1.00  0.00           S  
HETATM   49  C   UNL     1      10.432  -2.569  -0.330  1.00  0.00           C  
HETATM   50  O   UNL     1       9.965  -2.668  -1.449  1.00  0.00           O  
HETATM   51  C   UNL     1      11.449  -3.534   0.132  1.00  0.00           C  
HETATM   52  C   UNL     1      11.879  -4.564  -0.715  1.00  0.00           C  
HETATM   53  O   UNL     1      11.363  -4.680  -1.964  1.00  0.00           O  
HETATM   54  C   UNL     1      12.835  -5.465  -0.270  1.00  0.00           C  
HETATM   55  C   UNL     1      13.359  -5.346   1.002  1.00  0.00           C  
HETATM   56  C   UNL     1      12.937  -4.329   1.842  1.00  0.00           C  
HETATM   57  C   UNL     1      11.992  -3.422   1.414  1.00  0.00           C  
HETATM   58  H   UNL     1       0.468   3.881  -2.531  1.00  0.00           H  
HETATM   59  H   UNL     1       1.782   4.794  -3.310  1.00  0.00           H  
HETATM   60  H   UNL     1       2.073   3.960  -1.765  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.094   5.799  -2.369  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.487   7.385  -1.837  1.00  0.00           H  
HETATM   63  H   UNL     1       0.091   6.678  -3.365  1.00  0.00           H  
HETATM   64  H   UNL     1       1.258   4.893   0.343  1.00  0.00           H  
HETATM   65  H   UNL     1       0.142   6.280   0.349  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.073   2.177   1.287  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.358   4.071   0.426  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.599   0.101   1.818  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.664   1.232   0.949  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.261  -0.096  -1.157  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.951  -2.899  -1.507  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.813  -2.983   1.439  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.752  -4.546  -0.154  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.814  -0.867   1.190  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.334   1.593  -0.774  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.686  -0.276  -1.744  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.625  -2.919   1.506  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.163  -7.521   1.328  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.592  -8.896   0.463  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.982  -7.635  -2.314  1.00  0.00           H  
HETATM   81  H   UNL     1       2.506   6.920  -2.483  1.00  0.00           H  
HETATM   82  H   UNL     1       1.309   7.857  -0.009  1.00  0.00           H  
HETATM   83  H   UNL     1       3.688   4.681  -1.964  1.00  0.00           H  
HETATM   84  H   UNL     1       5.604   5.061   0.075  1.00  0.00           H  
HETATM   85  H   UNL     1       4.317   4.005   0.705  1.00  0.00           H  
HETATM   86  H   UNL     1       4.650   2.460  -1.205  1.00  0.00           H  
HETATM   87  H   UNL     1       5.937   3.515  -1.835  1.00  0.00           H  
HETATM   88  H   UNL     1       6.947   1.060  -1.370  1.00  0.00           H  
HETATM   89  H   UNL     1       8.863   1.441   0.669  1.00  0.00           H  
HETATM   90  H   UNL     1       7.576   0.385   1.299  1.00  0.00           H  
HETATM   91  H   UNL     1       7.909  -1.161  -0.611  1.00  0.00           H  
HETATM   92  H   UNL     1       9.196  -0.105  -1.241  1.00  0.00           H  
HETATM   93  H   UNL     1      11.853  -4.189  -2.639  1.00  0.00           H  
HETATM   94  H   UNL     1      13.170  -6.260  -0.920  1.00  0.00           H  
HETATM   95  H   UNL     1      14.100  -6.053   1.345  1.00  0.00           H  
HETATM   96  H   UNL     1      13.353  -4.245   2.835  1.00  0.00           H  
HETATM   97  H   UNL     1      11.665  -2.630   2.072  1.00  0.00           H  
CONECT    1    2   58   59   60                                       
CONECT    2    3   36    1    4                                       
CONECT    3    2   61   62   63                                       
CONECT    4    2    5   64   65                                       
CONECT    5    4    6                                                 
CONECT    6    9    5    8    8                                       
CONECT    6    7                                                      
CONECT    7    6   66                                                 
CONECT    8    6    6                                                 
CONECT    9   10    6                                                 
CONECT   10   13   12   12    9                                       
CONECT   10   11                                                      
CONECT   11   10   67                                                 
CONECT   12   10   10                                                 
CONECT   13   14   10                                                 
CONECT   14   15   13   68   69                                       
CONECT   15   16   20   14   70                                       
CONECT   16   17   15                                                 
CONECT   17   26   16   18   71                                       
CONECT   18   17   19   20   72                                       
CONECT   19   18   73                                                 
CONECT   20   18   21   15   74                                       
CONECT   21   22   20                                                 
CONECT   22   23   23   21   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   75                                                 
CONECT   25   22   76                                                 
CONECT   26   35   27   17                                            
CONECT   27   28   28   26   77                                       
CONECT   28   29   27   27                                            
CONECT   29   30   30   35   28                                       
CONECT   30   32   31   29   29                                       
CONECT   31   30   78   79                                            
CONECT   32   33   33   30                                            
CONECT   33   32   32   34   80                                       
CONECT   34   33   35   35                                            
CONECT   35   34   34   29   26                                       
CONECT   36   38   37    2   81                                       
CONECT   37   36   82                                                 
CONECT   38   40   39   39   36                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   83                                            
CONECT   41   42   40   84   85                                       
CONECT   42   43   41   86   87                                       
CONECT   43   45   44   44   42                                       
CONECT   44   43   43                                                 
CONECT   45   46   43   88                                            
CONECT   46   47   45   89   90                                       
CONECT   47   48   46   91   92                                       
CONECT   48   49   47                                                 
CONECT   49   51   48   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   57   57   52   49                                       
CONECT   52   54   54   51   53                                       
CONECT   53   52   93                                                 
CONECT   54   55   52   52   94                                       
CONECT   55   56   56   54   95                                       
CONECT   56   55   55   57   96                                       
CONECT   57   56   51   51   97                                       
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    7                                                      
CONECT   67   11                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
CONECT   93   53                                                      
CONECT   94   54                                                      
CONECT   95   55                                                      
CONECT   96   56                                                      
CONECT   97   57                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
