COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.837   2.998   0.501  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.878   0.445   0.895  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.186  -0.667  -0.109  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.819   2.042   2.620  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.465  -1.427   0.305  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.636  -5.346   0.857  1.00  0.00           N  
HETATM    7  C   UNL     1      -7.165  -2.897  -0.062  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.739  -2.852  -0.656  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.617  -7.820  -1.675  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.137  -4.146   0.801  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.258   3.641   1.299  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.129  -6.088  -0.164  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.762   1.208   0.433  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.953  -7.413  -0.598  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.425  -7.005  -2.329  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.621  -5.757  -1.959  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.999  -5.261  -0.894  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.142  -1.665  -0.091  1.00  0.00           O  
HETATM   19  C   UNL     1       1.834   6.818  -1.584  1.00  0.00           C  
HETATM   20  O   UNL     1      -8.098  -3.371  -1.036  1.00  0.00           O  
HETATM   21  C   UNL     1       2.935   6.230  -0.739  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.109  -8.274   0.081  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.984  -4.043  -0.262  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.496   6.472  -2.416  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.859   4.514  -0.338  1.00  0.00           O  
HETATM   26  C   UNL     1       0.673   5.826  -1.670  1.00  0.00           C  
HETATM   27  C   UNL     1       4.652   4.547  -0.339  1.00  0.00           C  
HETATM   28  C   UNL     1       5.332   3.411  -1.104  1.00  0.00           C  
HETATM   29  C   UNL     1       6.350   2.745  -0.214  1.00  0.00           C  
HETATM   30  C   UNL     1       8.066   1.062   0.186  1.00  0.00           C  
HETATM   31  C   UNL     1       1.127   4.572  -2.421  1.00  0.00           C  
HETATM   32  C   UNL     1       8.747  -0.074  -0.580  1.00  0.00           C  
HETATM   33  C   UNL     1      10.563  -2.070  -0.582  1.00  0.00           C  
HETATM   34  C   UNL     1      11.640  -3.022  -0.127  1.00  0.00           C  
HETATM   35  C   UNL     1      11.096  -3.907   0.996  1.00  0.00           C  
HETATM   36  C   UNL     1      12.130  -4.939   1.367  1.00  0.00           C  
HETATM   37  C   UNL     1       0.226   5.441  -0.258  1.00  0.00           C  
HETATM   38  N   UNL     1       3.662   5.195  -1.204  1.00  0.00           N  
HETATM   39  N   UNL     1       7.077   1.710  -0.679  1.00  0.00           N  
HETATM   40  O   UNL     1      -0.534   2.977   1.770  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.463   0.827   1.141  1.00  0.00           O  
HETATM   42  O   UNL     1     -10.630  -1.411   1.167  1.00  0.00           O  
HETATM   43  O   UNL     1     -10.896   0.248  -0.855  1.00  0.00           O  
HETATM   44  O   UNL     1       3.167   6.688   0.360  1.00  0.00           O  
HETATM   45  O   UNL     1       6.514   3.140   0.920  1.00  0.00           O  
HETATM   46  O   UNL     1      10.118  -2.152  -1.708  1.00  0.00           O  
HETATM   47  O   UNL     1      12.046  -3.841  -1.225  1.00  0.00           O  
HETATM   48  O   UNL     1       9.906  -4.563   0.553  1.00  0.00           O  
HETATM   49  O   UNL     1      11.908  -6.112   1.178  1.00  0.00           O  
HETATM   50  O   UNL     1      13.297  -4.556   1.908  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.053   4.993   1.834  1.00  0.00           O  
HETATM   52  O   UNL     1       1.378   8.036  -0.992  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.593  -0.948  -0.429  1.00  0.00           O  
HETATM   54  P   UNL     1      -1.581   3.895   0.961  1.00  0.00           P  
HETATM   55  P   UNL     1      -4.161   2.463   1.243  1.00  0.00           P  
HETATM   56  P   UNL     1      -9.886  -0.296   0.275  1.00  0.00           P  
HETATM   57  S   UNL     1       9.969  -0.874   0.489  1.00  0.00           S  
HETATM   58  H   UNL     1      -6.747   1.096   0.994  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.641   0.005   1.863  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.299  -0.253  -1.111  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.638  -1.327   1.377  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.190  -3.527   0.827  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.783  -2.774  -1.743  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.914  -3.349   1.495  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.530   3.966   0.430  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.945  -7.377  -3.199  1.00  0.00           H  
HETATM   67  H   UNL     1       2.214   7.020  -2.585  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.955  -4.289  -1.303  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.996  -9.186  -0.228  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.630  -7.965   0.866  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.154   6.827  -3.388  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.289   5.738  -2.556  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.877   7.313  -1.836  1.00  0.00           H  
HETATM   74  H   UNL     1       4.154   4.144   0.544  1.00  0.00           H  
HETATM   75  H   UNL     1       5.400   5.278  -0.032  1.00  0.00           H  
HETATM   76  H   UNL     1       4.584   2.680  -1.411  1.00  0.00           H  
HETATM   77  H   UNL     1       5.830   3.814  -1.986  1.00  0.00           H  
HETATM   78  H   UNL     1       7.569   0.659   1.068  1.00  0.00           H  
HETATM   79  H   UNL     1       8.815   1.793   0.493  1.00  0.00           H  
HETATM   80  H   UNL     1       1.891   4.057  -1.839  1.00  0.00           H  
HETATM   81  H   UNL     1       0.275   3.909  -2.569  1.00  0.00           H  
HETATM   82  H   UNL     1       1.537   4.858  -3.389  1.00  0.00           H  
HETATM   83  H   UNL     1       7.999  -0.805  -0.887  1.00  0.00           H  
HETATM   84  H   UNL     1       9.245   0.329  -1.462  1.00  0.00           H  
HETATM   85  H   UNL     1      12.495  -2.454   0.239  1.00  0.00           H  
HETATM   86  H   UNL     1      10.869  -3.291   1.867  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.098   6.333   0.277  1.00  0.00           H  
HETATM   88  H   UNL     1       1.058   4.980   0.274  1.00  0.00           H  
HETATM   89  H   UNL     1       3.531   4.879  -2.111  1.00  0.00           H  
HETATM   90  H   UNL     1       6.946   1.394  -1.587  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.183   2.236   1.258  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.935  -2.178   0.664  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.699   0.655  -0.502  1.00  0.00           H  
HETATM   94  H   UNL     1      11.334  -4.376  -1.602  1.00  0.00           H  
HETATM   95  H   UNL     1      10.034  -5.129  -0.220  1.00  0.00           H  
HETATM   96  H   UNL     1      13.928  -5.254   2.129  1.00  0.00           H  
HETATM   97  H   UNL     1       1.026   7.931  -0.097  1.00  0.00           H  
CONECT    1   54   55                                                 
CONECT    2    3   13   58   59                                       
CONECT    3   18    2    5   60                                       
CONECT    4   55   55                                                 
CONECT    5    3    7   53   61                                       
CONECT    6   12   10   10                                            
CONECT    7    8   20    5   62                                       
CONECT    8   23   18    7   63                                       
CONECT    9   14   14   15                                            
CONECT   10    6    6   23   64                                       
CONECT   11   55   65                                                 
CONECT   12   14    6   17   17                                       
CONECT   13    2   55                                                 
CONECT   14   22    9    9   12                                       
CONECT   15    9   16   16   66                                       
CONECT   16   15   15   17                                            
CONECT   17   12   12   16   23                                       
CONECT   18    8    3                                                 
CONECT   19   21   52   26   67                                       
CONECT   20    7   68                                                 
CONECT   21   44   44   38   19                                       
CONECT   22   14   69   70                                            
CONECT   23   17   10    8                                            
CONECT   24   26   71   72   73                                       
CONECT   25   37   54                                                 
CONECT   26   31   19   24   37                                       
CONECT   27   28   38   74   75                                       
CONECT   28   29   27   76   77                                       
CONECT   29   39   45   45   28                                       
CONECT   30   32   39   78   79                                       
CONECT   31   26   80   81   82                                       
CONECT   32   57   30   83   84                                       
CONECT   33   34   57   46   46                                       
CONECT   34   47   35   33   85                                       
CONECT   35   48   36   34   86                                       
CONECT   36   49   49   50   35                                       
CONECT   37   26   25   87   88                                       
CONECT   38   27   21   89                                            
CONECT   39   30   29   90                                            
CONECT   40   54   91                                                 
CONECT   41   56   56                                                 
CONECT   42   56   92                                                 
CONECT   43   56   93                                                 
CONECT   44   21   21                                                 
CONECT   45   29   29                                                 
CONECT   46   33   33                                                 
CONECT   47   34   94                                                 
CONECT   48   35   95                                                 
CONECT   49   36   36                                                 
CONECT   50   36   96                                                 
CONECT   51   54   54                                                 
CONECT   52   19   97                                                 
CONECT   53    5   56                                                 
CONECT   54   25   51   51    1                                       
CONECT   54   40                                                      
CONECT   55    1   13    4    4                                       
CONECT   55   11                                                      
CONECT   56   53   41   41   42                                       
CONECT   56   43                                                      
CONECT   57   33   32                                                 
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   15                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   50                                                      
CONECT   97   52                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
