COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.039   4.947  -0.300  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.958   5.604  -1.539  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.023   7.008  -1.551  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.822   3.475  -1.927  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.159   7.646  -0.393  1.00  0.00           N  
HETATM    6  N   UNL     1      -7.169   5.671   0.808  1.00  0.00           N  
HETATM    7  N   UNL     1       9.258  -0.837   0.272  1.00  0.00           N  
HETATM    8  C   UNL     1       8.275  -1.646   0.715  1.00  0.00           C  
HETATM    9  O   UNL     1       8.270  -2.019   1.869  1.00  0.00           O  
HETATM   10  C   UNL     1       7.182  -2.088  -0.224  1.00  0.00           C  
HETATM   11  C   UNL     1       6.202  -2.993   0.524  1.00  0.00           C  
HETATM   12  N   UNL     1       5.139  -3.423  -0.389  1.00  0.00           N  
HETATM   13  C   UNL     1       4.156  -4.232   0.054  1.00  0.00           C  
HETATM   14  O   UNL     1       4.201  -4.679   1.181  1.00  0.00           O  
HETATM   15  C   UNL     1       3.003  -4.580  -0.850  1.00  0.00           C  
HETATM   16  O   UNL     1       3.304  -4.171  -2.186  1.00  0.00           O  
HETATM   17  C   UNL     1       1.742  -3.861  -0.368  1.00  0.00           C  
HETATM   18  C   UNL     1       1.334  -4.407   1.001  1.00  0.00           C  
HETATM   19  C   UNL     1       2.022  -2.361  -0.257  1.00  0.00           C  
HETATM   20  C   UNL     1       0.607  -4.094  -1.368  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.571  -3.422  -0.919  1.00  0.00           O  
HETATM   22  P   UNL     1      -1.962  -3.453  -1.729  1.00  0.00           P  
HETATM   23  O   UNL     1      -1.776  -2.704  -3.142  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.365  -4.857  -1.964  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.099  -2.704  -0.870  1.00  0.00           O  
HETATM   26  P   UNL     1      -4.709  -2.728  -0.886  1.00  0.00           P  
HETATM   27  O   UNL     1      -5.234  -4.032  -0.101  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.189  -2.769  -2.285  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.273  -1.404  -0.163  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.663  -1.080  -0.107  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.850   0.237   0.648  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.340   1.340  -0.133  1.00  0.00           O  
HETATM   33  C   UNL     1      -8.353   0.545   0.830  1.00  0.00           C  
HETATM   34  O   UNL     1      -8.790   0.152   2.133  1.00  0.00           O  
HETATM   35  P   UNL     1      -9.949  -0.938   2.377  1.00  0.00           P  
HETATM   36  O   UNL     1     -10.270  -1.036   3.951  1.00  0.00           O  
HETATM   37  O   UNL     1     -11.171  -0.531   1.648  1.00  0.00           O  
HETATM   38  O   UNL     1      -9.457  -2.374   1.840  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.445   2.078   0.664  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.941   2.682   1.860  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.987   2.516   0.401  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.951   3.606  -0.576  1.00  0.00           N  
HETATM   43  N   UNL     1      -6.826   4.648  -2.490  1.00  0.00           N  
HETATM   44  C   UNL     1      -7.231   6.984   0.748  1.00  0.00           C  
HETATM   45  N   UNL     1      -6.948   7.710  -2.741  1.00  0.00           N  
HETATM   46  C   UNL     1      17.526   5.183  -0.999  1.00  0.00           C  
HETATM   47  S   UNL     1      16.924   4.305   0.469  1.00  0.00           S  
HETATM   48  C   UNL     1      15.425   3.480  -0.134  1.00  0.00           C  
HETATM   49  C   UNL     1      14.788   2.683   1.005  1.00  0.00           C  
HETATM   50  C   UNL     1      13.542   1.998   0.504  1.00  0.00           C  
HETATM   51  O   UNL     1      13.199   2.134  -0.652  1.00  0.00           O  
HETATM   52  S   UNL     1      12.613   1.028   1.565  1.00  0.00           S  
HETATM   53  C   UNL     1      11.301   0.497   0.437  1.00  0.00           C  
HETATM   54  C   UNL     1      10.320  -0.408   1.185  1.00  0.00           C  
HETATM   55  H   UNL     1      -6.730   2.536  -2.452  1.00  0.00           H  
HETATM   56  H   UNL     1       9.262  -0.540  -0.651  1.00  0.00           H  
HETATM   57  H   UNL     1       6.653  -1.214  -0.603  1.00  0.00           H  
HETATM   58  H   UNL     1       7.620  -2.638  -1.058  1.00  0.00           H  
HETATM   59  H   UNL     1       6.731  -3.868   0.903  1.00  0.00           H  
HETATM   60  H   UNL     1       5.764  -2.444   1.358  1.00  0.00           H  
HETATM   61  H   UNL     1       5.143  -3.125  -1.312  1.00  0.00           H  
HETATM   62  H   UNL     1       2.837  -5.657  -0.829  1.00  0.00           H  
HETATM   63  H   UNL     1       3.464  -3.222  -2.280  1.00  0.00           H  
HETATM   64  H   UNL     1       0.394  -3.951   1.310  1.00  0.00           H  
HETATM   65  H   UNL     1       1.210  -5.488   0.939  1.00  0.00           H  
HETATM   66  H   UNL     1       2.109  -4.172   1.731  1.00  0.00           H  
HETATM   67  H   UNL     1       1.123  -1.848   0.087  1.00  0.00           H  
HETATM   68  H   UNL     1       2.830  -2.194   0.456  1.00  0.00           H  
HETATM   69  H   UNL     1       2.312  -1.971  -1.232  1.00  0.00           H  
HETATM   70  H   UNL     1       0.897  -3.705  -2.344  1.00  0.00           H  
HETATM   71  H   UNL     1       0.408  -5.163  -1.448  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.512  -1.777  -3.064  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.957  -4.073   0.825  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.053  -0.977  -1.120  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.201  -1.875   0.410  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.351   0.193   1.616  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.941   0.041   0.063  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.961  -1.676   4.173  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.658  -2.704   2.274  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.081   2.333  -0.184  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.020   3.645   1.811  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.510   2.823   1.332  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.340   7.542   1.666  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.849   7.234  -3.580  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.994   8.679  -2.737  1.00  0.00           H  
HETATM   86  H   UNL     1      17.734   4.465  -1.793  1.00  0.00           H  
HETATM   87  H   UNL     1      16.767   5.889  -1.337  1.00  0.00           H  
HETATM   88  H   UNL     1      18.439   5.724  -0.750  1.00  0.00           H  
HETATM   89  H   UNL     1      14.719   4.228  -0.494  1.00  0.00           H  
HETATM   90  H   UNL     1      15.685   2.805  -0.949  1.00  0.00           H  
HETATM   91  H   UNL     1      15.494   1.935   1.365  1.00  0.00           H  
HETATM   92  H   UNL     1      14.527   3.359   1.820  1.00  0.00           H  
HETATM   93  H   UNL     1      10.771   1.372   0.058  1.00  0.00           H  
HETATM   94  H   UNL     1      11.738  -0.052  -0.397  1.00  0.00           H  
HETATM   95  H   UNL     1       9.882   0.141   2.019  1.00  0.00           H  
HETATM   96  H   UNL     1      10.849  -1.283   1.564  1.00  0.00           H  
CONECT    1    2    2    6   42                                       
CONECT    2    3   43    1    1                                       
CONECT    3   45    5    5    2                                       
CONECT    4   43   43   42   55                                       
CONECT    5    3    3   44                                            
CONECT    6   44   44    1                                            
CONECT    7   54    8   56                                            
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   57   58                                       
CONECT   11   10   12   59   60                                       
CONECT   12   11   13   61                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   17   13   16   62                                       
CONECT   16   15   63                                                 
CONECT   17   18   19   20   15                                       
CONECT   18   17   64   65   66                                       
CONECT   19   17   67   68   69                                       
CONECT   20   17   21   70   71                                       
CONECT   21   20   22                                                 
CONECT   22   21   24   24   25                                       
CONECT   22   23                                                      
CONECT   23   22   72                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   29   28   28                                       
CONECT   26   27                                                      
CONECT   27   26   73                                                 
CONECT   28   26   26                                                 
CONECT   29   30   26                                                 
CONECT   30   31   29   74   75                                       
CONECT   31   32   30   33   76                                       
CONECT   32   41   31                                                 
CONECT   33   31   39   34   77                                       
CONECT   34   33   35                                                 
CONECT   35   34   37   37   36                                       
CONECT   35   38                                                      
CONECT   36   35   78                                                 
CONECT   37   35   35                                                 
CONECT   38   35   79                                                 
CONECT   39   41   40   33   80                                       
CONECT   40   39   81                                                 
CONECT   41   42   32   39   82                                       
CONECT   42    1    4   41                                            
CONECT   43    2    4    4                                            
CONECT   44    5    6    6   83                                       
CONECT   45    3   84   85                                            
CONECT   46   47   86   87   88                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   89   90                                       
CONECT   49   48   50   91   92                                       
CONECT   50   49   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   53                                                 
CONECT   53   52   54   93   94                                       
CONECT   54   53    7   95   96                                       
CONECT   55    4                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   23                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   36                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   48                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   54                                                      
CONECT   96   54                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
