COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.376  -1.730   0.239  1.00  0.00           C  
HETATM    2  N   UNL     1       7.343  -7.687  -0.497  1.00  0.00           N  
HETATM    3  O   UNL     1       5.597   2.795  -2.233  1.00  0.00           O  
HETATM    4  P   UNL     1       5.099   2.740  -0.841  1.00  0.00           P  
HETATM    5  C   UNL     1     -14.554  -2.249   1.022  1.00  0.00           C  
HETATM    6  O   UNL     1     -14.674  -1.967   2.195  1.00  0.00           O  
HETATM    7  C   UNL     1       7.259  -2.569   0.384  1.00  0.00           C  
HETATM    8  S   UNL     1     -12.326  -0.723   1.322  1.00  0.00           S  
HETATM    9  C   UNL     1       7.413  -7.047   0.655  1.00  0.00           C  
HETATM   10  O   UNL     1       5.638   4.020  -0.026  1.00  0.00           O  
HETATM   11  P   UNL     1       2.377   3.532  -1.707  1.00  0.00           P  
HETATM   12  C   UNL     1     -15.560  -3.097   0.363  1.00  0.00           C  
HETATM   13  C   UNL     1       8.721  -2.164   0.673  1.00  0.00           C  
HETATM   14  O   UNL     1       9.190  -2.798   1.865  1.00  0.00           O  
HETATM   15  C   UNL     1     -10.986  -0.197   0.219  1.00  0.00           C  
HETATM   16  N   UNL     1       7.380  -5.733   0.737  1.00  0.00           N  
HETATM   17  O   UNL     1       3.489   2.747  -0.847  1.00  0.00           O  
HETATM   18  C   UNL     1     -16.654  -3.581   1.086  1.00  0.00           C  
HETATM   19  C   UNL     1       8.656  -0.632   0.864  1.00  0.00           C  
HETATM   20  O   UNL     1       9.082  -0.273   2.180  1.00  0.00           O  
HETATM   21  P   UNL     1      10.318   0.720   2.461  1.00  0.00           P  
HETATM   22  C   UNL     1      -9.998   0.676   0.995  1.00  0.00           C  
HETATM   23  C   UNL     1       7.273  -4.989  -0.359  1.00  0.00           C  
HETATM   24  O   UNL     1       2.810   4.932  -1.912  1.00  0.00           O  
HETATM   25  C   UNL     1     -17.592  -4.376   0.461  1.00  0.00           C  
HETATM   26  C   UNL     1       7.162  -0.293   0.668  1.00  0.00           C  
HETATM   27  O   UNL     1       6.641  -1.372  -0.138  1.00  0.00           O  
HETATM   28  N   UNL     1      -8.916   1.100   0.104  1.00  0.00           N  
HETATM   29  C   UNL     1       7.196  -5.623  -1.610  1.00  0.00           C  
HETATM   30  O   UNL     1       2.196   2.811  -3.135  1.00  0.00           O  
HETATM   31  C   UNL     1     -17.452  -4.695  -0.878  1.00  0.00           C  
HETATM   32  C   UNL     1       7.010   1.041  -0.066  1.00  0.00           C  
HETATM   33  O   UNL     1       5.627   1.393  -0.134  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.924   1.882   0.573  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.927   2.235   1.734  1.00  0.00           O  
HETATM   36  C   UNL     1       7.235  -7.027  -1.646  1.00  0.00           C  
HETATM   37  N   UNL     1       7.163  -7.707  -2.849  1.00  0.00           N  
HETATM   38  O   UNL     1       0.975   3.514  -0.915  1.00  0.00           O  
HETATM   39  C   UNL     1     -16.372  -4.220  -1.601  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.810   2.319  -0.344  1.00  0.00           C  
HETATM   41  N   UNL     1       7.095  -4.648  -2.546  1.00  0.00           N  
HETATM   42  O   UNL     1      10.096   1.997   1.748  1.00  0.00           O  
HETATM   43  C   UNL     1     -15.429  -3.420  -0.992  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.823   3.192   0.433  1.00  0.00           C  
HETATM   45  C   UNL     1       7.106  -3.485  -1.962  1.00  0.00           C  
HETATM   46  O   UNL     1      10.431   1.001   4.043  1.00  0.00           O  
HETATM   47  N   UNL     1      -4.740   3.616  -0.459  1.00  0.00           N  
HETATM   48  N   UNL     1       7.214  -3.642  -0.613  1.00  0.00           N  
HETATM   49  O   UNL     1      11.681   0.042   1.938  1.00  0.00           O  
HETATM   50  C   UNL     1      -3.748   4.398   0.010  1.00  0.00           C  
HETATM   51  O   UNL     1      -3.799   4.827   1.144  1.00  0.00           O  
HETATM   52  C   UNL     1      -2.576   4.740  -0.873  1.00  0.00           C  
HETATM   53  O   UNL     1      -2.867   4.359  -2.219  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.335   3.988  -0.387  1.00  0.00           C  
HETATM   55  C   UNL     1      -0.184   4.216  -1.368  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.936   4.502   0.997  1.00  0.00           C  
HETATM   57  C   UNL     1      -1.645   2.492  -0.305  1.00  0.00           C  
HETATM   58  H   UNL     1     -12.799  -2.569  -0.149  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.732  -1.120  -0.591  1.00  0.00           H  
HETATM   60  H   UNL     1       6.763  -2.882   1.303  1.00  0.00           H  
HETATM   61  H   UNL     1       7.500  -7.622   1.565  1.00  0.00           H  
HETATM   62  H   UNL     1       5.349   4.049   0.896  1.00  0.00           H  
HETATM   63  H   UNL     1       9.362  -2.419  -0.171  1.00  0.00           H  
HETATM   64  H   UNL     1       9.194  -3.764   1.821  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.469  -1.075  -0.169  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.402   0.375  -0.611  1.00  0.00           H  
HETATM   67  H   UNL     1     -16.765  -3.333   2.132  1.00  0.00           H  
HETATM   68  H   UNL     1       9.266  -0.127   0.115  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.516   1.554   1.382  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.582   0.104   1.825  1.00  0.00           H  
HETATM   71  H   UNL     1     -18.438  -4.750   1.019  1.00  0.00           H  
HETATM   72  H   UNL     1       6.652  -0.255   1.631  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.913   0.818  -0.825  1.00  0.00           H  
HETATM   74  H   UNL     1       1.913   1.888  -3.077  1.00  0.00           H  
HETATM   75  H   UNL     1     -18.190  -5.318  -1.362  1.00  0.00           H  
HETATM   76  H   UNL     1       7.556   1.816   0.472  1.00  0.00           H  
HETATM   77  H   UNL     1       7.412   0.948  -1.075  1.00  0.00           H  
HETATM   78  H   UNL     1       7.191  -8.677  -2.861  1.00  0.00           H  
HETATM   79  H   UNL     1       7.084  -7.214  -3.681  1.00  0.00           H  
HETATM   80  H   UNL     1     -16.269  -4.474  -2.645  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.293   1.441  -0.731  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.226   2.891  -1.174  1.00  0.00           H  
HETATM   83  H   UNL     1     -14.586  -3.049  -1.557  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.340   4.070   0.820  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.407   2.620   1.262  1.00  0.00           H  
HETATM   86  H   UNL     1       7.039  -2.535  -2.473  1.00  0.00           H  
HETATM   87  H   UNL     1      11.156   1.593   4.286  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.738   3.334  -1.387  1.00  0.00           H  
HETATM   89  H   UNL     1      11.890  -0.801   2.363  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.390   5.813  -0.831  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.044   3.415  -2.332  1.00  0.00           H  
HETATM   92  H   UNL     1       0.037   5.282  -1.427  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.468   3.850  -2.355  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.724   4.269   1.713  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.008   4.023   1.309  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.790   5.582   0.955  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.930   2.125  -1.291  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.762   1.956   0.041  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.466   2.329   0.394  1.00  0.00           H  
CONECT    1    5    8   58   59                                       
CONECT    2   36   36    9                                            
CONECT    3    4    4                                                 
CONECT    4    3    3   17   33                                       
CONECT    4   10                                                      
CONECT    5    1   12    6    6                                       
CONECT    6    5    5                                                 
CONECT    7   48   27   13   60                                       
CONECT    8    1   15                                                 
CONECT    9    2   16   16   61                                       
CONECT   10    4   62                                                 
CONECT   11   38   24   24   30                                       
CONECT   11   17                                                      
CONECT   12    5   43   43   18                                       
CONECT   13    7   14   19   63                                       
CONECT   14   13   64                                                 
CONECT   15    8   22   65   66                                       
CONECT   16    9    9   23                                            
CONECT   17    4   11                                                 
CONECT   18   12   25   25   67                                       
CONECT   19   13   26   20   68                                       
CONECT   20   19   21                                                 
CONECT   21   20   42   42   49                                       
CONECT   21   46                                                      
CONECT   22   15   28   69   70                                       
CONECT   23   16   29   29   48                                       
CONECT   24   11   11                                                 
CONECT   25   18   18   31   71                                       
CONECT   26   19   27   32   72                                       
CONECT   27    7   26                                                 
CONECT   28   22   34   73                                            
CONECT   29   23   23   36   41                                       
CONECT   30   11   74                                                 
CONECT   31   25   39   39   75                                       
CONECT   32   26   33   76   77                                       
CONECT   33    4   32                                                 
CONECT   34   28   40   35   35                                       
CONECT   35   34   34                                                 
CONECT   36    2    2   29   37                                       
CONECT   37   36   78   79                                            
CONECT   38   11   55                                                 
CONECT   39   31   31   43   80                                       
CONECT   40   34   44   81   82                                       
CONECT   41   29   45   45                                            
CONECT   42   21   21                                                 
CONECT   43   12   12   39   83                                       
CONECT   44   40   47   84   85                                       
CONECT   45   41   41   48   86                                       
CONECT   46   21   87                                                 
CONECT   47   44   50   88                                            
CONECT   48    7   23   45                                            
CONECT   49   21   89                                                 
CONECT   50   47   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   54   53   90                                       
CONECT   53   52   91                                                 
CONECT   54   52   57   56   55                                       
CONECT   55   38   54   92   93                                       
CONECT   56   54   94   95   96                                       
CONECT   57   54   97   98   99                                       
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   49                                                      
CONECT   90   52                                                      
CONECT   91   53                                                      
CONECT   92   55                                                      
CONECT   93   55                                                      
CONECT   94   56                                                      
CONECT   95   56                                                      
CONECT   96   56                                                      
CONECT   97   57                                                      
CONECT   98   57                                                      
CONECT   99   57                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
