COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       1.527  -0.673   3.479  1.00  0.00           P  
HETATM    2  O   UNL     1       3.021  -1.192   3.177  1.00  0.00           O  
HETATM    3  O   UNL     1       0.627  -1.835   3.651  1.00  0.00           O  
HETATM    4  O   UNL     1       1.527   0.208   4.826  1.00  0.00           O  
HETATM    5  C   UNL     1       1.990  -0.641   5.877  1.00  0.00           C  
HETATM    6  C   UNL     1       2.014   0.139   7.192  1.00  0.00           C  
HETATM    7  O   UNL     1       0.685   0.571   7.528  1.00  0.00           O  
HETATM    8  C   UNL     1       0.583   0.538   8.968  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.819   0.465   9.384  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.343   0.943  10.559  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.850   1.578  11.617  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.633   1.922  12.618  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.928   1.666  12.625  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.512   1.039  11.608  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.870   0.775  11.625  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.717   0.652  10.516  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.955   0.016   9.343  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.842  -0.093   8.677  1.00  0.00           C  
HETATM   19  C   UNL     1       1.338  -0.758   9.355  1.00  0.00           C  
HETATM   20  O   UNL     1       1.833  -0.681  10.693  1.00  0.00           O  
HETATM   21  C   UNL     1       2.506  -0.770   8.334  1.00  0.00           C  
HETATM   22  O   UNL     1       3.695  -0.243   8.927  1.00  0.00           O  
HETATM   23  O   UNL     1       1.012   0.226   2.248  1.00  0.00           O  
HETATM   24  P   UNL     1       1.038  -0.713   0.941  1.00  0.00           P  
HETATM   25  O   UNL     1       0.067  -1.977   1.170  1.00  0.00           O  
HETATM   26  O   UNL     1       2.419  -1.189   0.703  1.00  0.00           O  
HETATM   27  O   UNL     1       0.532   0.127  -0.334  1.00  0.00           O  
HETATM   28  C   UNL     1       0.577  -0.757  -1.456  1.00  0.00           C  
HETATM   29  C   UNL     1       0.106  -0.016  -2.709  1.00  0.00           C  
HETATM   30  O   UNL     1       0.961   1.103  -2.950  1.00  0.00           O  
HETATM   31  C   UNL     1       0.155  -0.963  -3.910  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.699  -2.082  -3.669  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.315  -0.222  -5.163  1.00  0.00           C  
HETATM   34  O   UNL     1       0.539   0.897  -5.404  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.267  -1.169  -6.364  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.718  -0.459  -7.563  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.035  -0.453  -7.917  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.959  -1.079  -7.207  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.240  -1.064  -7.565  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.038  -1.661  -6.864  1.00  0.00           O  
HETATM   41  N   UNL     1      -4.708  -0.432  -8.651  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.881   0.251  -9.476  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.303   0.825 -10.462  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.445   0.271  -9.129  1.00  0.00           C  
HETATM   45  N   UNL     1      -1.559   0.903  -9.859  1.00  0.00           N  
HETATM   46  C   UNL     1       0.180   0.218  -8.362  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.267   0.902  -9.519  1.00  0.00           C  
HETATM   48  C   UNL     1       1.527   0.234  -8.033  1.00  0.00           C  
HETATM   49  C   UNL     1       2.426   0.917  -8.838  1.00  0.00           C  
HETATM   50  N   UNL     1       3.774   0.933  -8.508  1.00  0.00           N  
HETATM   51  C   UNL     1       3.876   1.551  -7.179  1.00  0.00           C  
HETATM   52  C   UNL     1       4.187  -0.468  -8.355  1.00  0.00           C  
HETATM   53  C   UNL     1       0.668   1.590 -10.322  1.00  0.00           C  
HETATM   54  C   UNL     1       1.982   1.597  -9.980  1.00  0.00           C  
HETATM   55  C   UNL     1       2.974   2.335 -10.842  1.00  0.00           C  
HETATM   56  H   UNL     1       3.574  -0.405   3.073  1.00  0.00           H  
HETATM   57  H   UNL     1       1.322  -1.496   5.974  1.00  0.00           H  
HETATM   58  H   UNL     1       2.996  -0.991   5.644  1.00  0.00           H  
HETATM   59  H   UNL     1       2.672   1.003   7.098  1.00  0.00           H  
HETATM   60  H   UNL     1       1.068   1.410   9.407  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.200   2.434  13.464  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.408   1.047  12.385  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.284   0.317  10.877  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.743  -0.559   7.708  1.00  0.00           H  
HETATM   65  H   UNL     1       0.700  -1.632   9.228  1.00  0.00           H  
HETATM   66  H   UNL     1       2.290  -1.514  10.871  1.00  0.00           H  
HETATM   67  H   UNL     1       2.681  -1.782   7.966  1.00  0.00           H  
HETATM   68  H   UNL     1       3.917  -0.821   9.669  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.820  -1.624   1.322  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.074  -1.610  -1.272  1.00  0.00           H  
HETATM   71  H   UNL     1       1.599  -1.105  -1.603  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.915   0.332  -2.562  1.00  0.00           H  
HETATM   73  H   UNL     1       1.854   0.751  -3.074  1.00  0.00           H  
HETATM   74  H   UNL     1       1.177  -1.311  -4.056  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.592  -1.730  -3.545  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.337   0.126  -5.016  1.00  0.00           H  
HETATM   77  H   UNL     1       1.431   0.545  -5.528  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.919  -2.022  -6.180  1.00  0.00           H  
HETATM   79  H   UNL     1       0.755  -1.517  -6.510  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.657  -0.465  -8.849  1.00  0.00           H  
HETATM   81  H   UNL     1       1.876  -0.284  -7.152  1.00  0.00           H  
HETATM   82  H   UNL     1       4.922   1.585  -6.874  1.00  0.00           H  
HETATM   83  H   UNL     1       3.474   2.563  -7.218  1.00  0.00           H  
HETATM   84  H   UNL     1       3.307   0.961  -6.460  1.00  0.00           H  
HETATM   85  H   UNL     1       4.128  -0.972  -9.320  1.00  0.00           H  
HETATM   86  H   UNL     1       5.212  -0.506  -7.987  1.00  0.00           H  
HETATM   87  H   UNL     1       3.527  -0.965  -7.644  1.00  0.00           H  
HETATM   88  H   UNL     1       0.337   2.113 -11.207  1.00  0.00           H  
HETATM   89  H   UNL     1       3.063   3.364 -10.494  1.00  0.00           H  
HETATM   90  H   UNL     1       3.945   1.844 -10.779  1.00  0.00           H  
HETATM   91  H   UNL     1       2.630   2.330 -11.876  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1   23                                                      
CONECT    2    1   56                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   57   58                                       
CONECT    6    5    7   21   59                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   19   60                                       
CONECT    9    8   10   18                                            
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   61                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   16                                       
CONECT   15   14   62   63                                            
CONECT   16   10   10   14   17                                       
CONECT   17   16   18   18                                            
CONECT   18    9   17   17   64                                       
CONECT   19    8   20   21   65                                       
CONECT   20   19   66                                                 
CONECT   21    6   19   22   67                                       
CONECT   22   21   68                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   69                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   70   71                                       
CONECT   29   28   30   31   72                                       
CONECT   30   29   73                                                 
CONECT   31   29   32   33   74                                       
CONECT   32   31   75                                                 
CONECT   33   31   34   35   76                                       
CONECT   34   33   77                                                 
CONECT   35   33   36   78   79                                       
CONECT   36   35   37   46                                            
CONECT   37   36   38   38   44                                       
CONECT   38   37   37   39                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   80                                            
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   37   42   45   45                                       
CONECT   45   44   44   47                                            
CONECT   46   36   47   47   48                                       
CONECT   47   45   46   46   53                                       
CONECT   48   46   49   49   81                                       
CONECT   49   48   48   50   54                                       
CONECT   50   49   51   52                                            
CONECT   51   50   82   83   84                                       
CONECT   52   50   85   86   87                                       
CONECT   53   47   54   54   88                                       
CONECT   54   49   53   53   55                                       
CONECT   55   54   89   90   91                                       
CONECT   56    2                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   25                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   41                                                      
CONECT   81   48                                                      
CONECT   82   51                                                      
CONECT   83   51                                                      
CONECT   84   51                                                      
CONECT   85   52                                                      
CONECT   86   52                                                      
CONECT   87   52                                                      
CONECT   88   53                                                      
CONECT   89   55                                                      
CONECT   90   55                                                      
CONECT   91   55                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
