COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       3.727  -0.461   1.038  1.00  0.00           P  
HETATM    2  O   UNL     1       3.306  -1.764   1.600  1.00  0.00           O  
HETATM    3  O   UNL     1       4.249   0.492   2.227  1.00  0.00           O  
HETATM    4  O   UNL     1       4.914  -0.693  -0.024  1.00  0.00           O  
HETATM    5  C   UNL     1       5.942  -1.416   0.656  1.00  0.00           C  
HETATM    6  C   UNL     1       7.107  -1.670  -0.302  1.00  0.00           C  
HETATM    7  O   UNL     1       7.737  -0.425  -0.648  1.00  0.00           O  
HETATM    8  C   UNL     1       9.146  -0.697  -0.810  1.00  0.00           C  
HETATM    9  N   UNL     1       9.928   0.533  -0.662  1.00  0.00           N  
HETATM   10  C   UNL     1      11.182   0.763  -1.170  1.00  0.00           C  
HETATM   11  N   UNL     1      12.042   0.061  -1.900  1.00  0.00           N  
HETATM   12  C   UNL     1      13.203   0.575  -2.247  1.00  0.00           C  
HETATM   13  N   UNL     1      13.571   1.795  -1.900  1.00  0.00           N  
HETATM   14  C   UNL     1      12.775   2.573  -1.174  1.00  0.00           C  
HETATM   15  N   UNL     1      13.169   3.850  -0.814  1.00  0.00           N  
HETATM   16  C   UNL     1      11.524   2.069  -0.779  1.00  0.00           C  
HETATM   17  N   UNL     1      10.484   2.556  -0.060  1.00  0.00           N  
HETATM   18  C   UNL     1       9.547   1.656   0.010  1.00  0.00           C  
HETATM   19  C   UNL     1       9.458  -1.688   0.341  1.00  0.00           C  
HETATM   20  O   UNL     1      10.597  -2.491   0.027  1.00  0.00           O  
HETATM   21  C   UNL     1       8.169  -2.550   0.385  1.00  0.00           C  
HETATM   22  O   UNL     1       8.358  -3.771  -0.333  1.00  0.00           O  
HETATM   23  O   UNL     1       2.476   0.236   0.302  1.00  0.00           O  
HETATM   24  P   UNL     1       1.211   0.078   1.284  1.00  0.00           P  
HETATM   25  O   UNL     1       1.231  -1.267   1.903  1.00  0.00           O  
HETATM   26  O   UNL     1       1.282   1.199   2.437  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.149   0.260   0.441  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.230  -0.008   1.338  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.558   0.149   0.595  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.656  -0.849  -0.423  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.716  -0.014   1.582  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.618   0.984   2.600  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.045   0.142   0.840  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.142  -0.856  -0.178  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.202  -0.021   1.827  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.478   0.058   1.103  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.412   1.258   0.263  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.477   2.445   1.117  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.104   3.563   0.731  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.117   4.515   1.487  1.00  0.00           O  
HETATM   41  N   UNL     1      -8.719   3.677  -0.455  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.693   2.586  -1.430  1.00  0.00           C  
HETATM   43  O   UNL     1      -9.893   2.613  -2.206  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.585   1.244  -0.708  1.00  0.00           C  
HETATM   45  N   UNL     1      -8.455   0.155  -1.685  1.00  0.00           N  
HETATM   46  C   UNL     1      -7.533  -1.057   0.263  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.995  -1.007  -1.044  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.097  -2.270   0.795  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.023  -2.183  -1.796  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.581  -3.374  -1.268  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.623  -4.629  -2.101  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.896   0.943   0.044  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.798   0.339  -1.058  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.828  -0.149  -2.151  1.00  0.00           C  
HETATM   55  O   UNL     1     -10.091   0.537  -3.377  1.00  0.00           O  
HETATM   56  C   UNL     1      -6.649  -4.726   0.622  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.124  -3.422   0.035  1.00  0.00           C  
HETATM   58  H   UNL     1       4.513   1.328   1.819  1.00  0.00           H  
HETATM   59  H   UNL     1       6.293  -0.833   1.508  1.00  0.00           H  
HETATM   60  H   UNL     1       5.545  -2.368   1.007  1.00  0.00           H  
HETATM   61  H   UNL     1       6.743  -2.164  -1.204  1.00  0.00           H  
HETATM   62  H   UNL     1       9.339  -1.159  -1.778  1.00  0.00           H  
HETATM   63  H   UNL     1      13.881  -0.023  -2.838  1.00  0.00           H  
HETATM   64  H   UNL     1      12.579   4.409  -0.284  1.00  0.00           H  
HETATM   65  H   UNL     1      14.035   4.187  -1.093  1.00  0.00           H  
HETATM   66  H   UNL     1       8.605   1.781   0.524  1.00  0.00           H  
HETATM   67  H   UNL     1       9.605  -1.158   1.281  1.00  0.00           H  
HETATM   68  H   UNL     1      10.737  -3.083   0.778  1.00  0.00           H  
HETATM   69  H   UNL     1       7.883  -2.756   1.417  1.00  0.00           H  
HETATM   70  H   UNL     1       9.074  -4.247   0.110  1.00  0.00           H  
HETATM   71  H   UNL     1       1.266   2.058   1.992  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.193   0.695   2.170  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.143  -1.026   1.717  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.606   1.138   0.140  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.610  -1.707   0.022  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.668  -1.004   2.038  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.665   1.841   2.156  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.092   1.131   0.385  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.002  -1.710   0.254  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.158   0.772   2.573  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.125  -0.990   2.321  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.476   1.261  -0.296  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.053   2.420   1.990  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.190   4.497  -0.671  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.833   2.708  -2.088  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.918   3.471  -2.651  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.736  -2.309   1.812  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.392  -2.159  -2.811  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.685  -4.733  -2.648  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.762  -5.492  -1.451  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.451  -4.569  -2.808  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.726   0.220   0.842  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.333   1.860   0.440  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.372  -0.498  -0.661  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.466   1.101  -1.459  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.941  -1.223  -2.295  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.998   0.316  -3.631  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.487  -5.238   1.095  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.241  -5.354  -0.170  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.876  -4.530   1.365  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   23                                                      
CONECT    2    1    1                                                 
CONECT    3    1   58                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   59   60                                       
CONECT    6    5    7   21   61                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   19   62                                       
CONECT    9    8   10   18                                            
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   63                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   16                                       
CONECT   15   14   64   65                                            
CONECT   16   10   10   14   17                                       
CONECT   17   16   18   18                                            
CONECT   18    9   17   17   66                                       
CONECT   19    8   20   21   67                                       
CONECT   20   19   68                                                 
CONECT   21    6   19   22   69                                       
CONECT   22   21   70                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   71                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   72   73                                       
CONECT   29   28   30   31   74                                       
CONECT   30   29   75                                                 
CONECT   31   29   32   33   76                                       
CONECT   32   31   77                                                 
CONECT   33   31   34   35   78                                       
CONECT   34   33   79                                                 
CONECT   35   33   36   80   81                                       
CONECT   36   35   37   46                                            
CONECT   37   36   38   44   82                                       
CONECT   38   37   39   83                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   84                                            
CONECT   42   41   43   44   85                                       
CONECT   43   42   86                                                 
CONECT   44   37   42   45   52                                       
CONECT   45   44   47   54                                            
CONECT   46   36   47   47   48                                       
CONECT   47   45   46   46   49                                       
CONECT   48   46   57   57   87                                       
CONECT   49   47   50   50   88                                       
CONECT   50   49   49   51   57                                       
CONECT   51   50   89   90   91                                       
CONECT   52   44   53   92   93                                       
CONECT   53   52   54   94   95                                       
CONECT   54   45   53   55   96                                       
CONECT   55   54   97                                                 
CONECT   56   57   98   99  100                                       
CONECT   57   48   48   50   56                                       
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63   12                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   48                                                      
CONECT   88   49                                                      
CONECT   89   51                                                      
CONECT   90   51                                                      
CONECT   91   51                                                      
CONECT   92   52                                                      
CONECT   93   52                                                      
CONECT   94   53                                                      
CONECT   95   53                                                      
CONECT   96   54                                                      
CONECT   97   55                                                      
CONECT   98   56                                                      
CONECT   99   56                                                      
CONECT  100   56                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
