COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.156  -3.921   2.993  1.00  0.00           O1-
HETATM    2  O   UNL     1      -1.953  -4.899   2.013  1.00  0.00           O  
HETATM    3  P   UNL     1      -1.151  -3.597   2.236  1.00  0.00           P  
HETATM    4  O   UNL     1      -2.032  -2.566   3.104  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.797  -2.935   0.812  1.00  0.00           O  
HETATM    6  C   UNL     1       0.078  -3.842   0.140  1.00  0.00           C  
HETATM    7  C   UNL     1       0.455  -3.269  -1.228  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.818  -2.953  -2.016  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.665  -2.072  -1.233  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.843  -1.659  -1.728  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.197  -2.020  -2.825  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.723  -0.744  -0.915  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.995  -0.428  -1.704  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.889   0.500  -0.878  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.161   0.817  -1.667  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.055   1.745  -0.842  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.327   2.062  -1.630  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.221   2.990  -0.805  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.474   3.302  -1.581  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.648   3.118  -1.031  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.748   2.759   0.429  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.682   3.745   1.134  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.783   3.380   2.617  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.717   4.366   3.322  1.00  0.00           C  
HETATM   25  O   UNL     1       1.227  -2.053  -1.047  1.00  0.00           O  
HETATM   26  C   UNL     1       2.565  -2.115  -0.955  1.00  0.00           C  
HETATM   27  O   UNL     1       3.126  -3.183  -1.022  1.00  0.00           O  
HETATM   28  C   UNL     1       3.367  -0.853  -0.767  1.00  0.00           C  
HETATM   29  C   UNL     1       4.855  -1.201  -0.693  1.00  0.00           C  
HETATM   30  C   UNL     1       5.669   0.081  -0.502  1.00  0.00           C  
HETATM   31  C   UNL     1       7.157  -0.267  -0.428  1.00  0.00           C  
HETATM   32  C   UNL     1       7.971   1.014  -0.238  1.00  0.00           C  
HETATM   33  C   UNL     1       9.460   0.667  -0.163  1.00  0.00           C  
HETATM   34  C   UNL     1      10.274   1.948   0.027  1.00  0.00           C  
HETATM   35  C   UNL     1      11.762   1.601   0.101  1.00  0.00           C  
HETATM   36  C   UNL     1      12.576   2.882   0.292  1.00  0.00           C  
HETATM   37  C   UNL     1      14.064   2.535   0.366  1.00  0.00           C  
HETATM   38  C   UNL     1      14.878   3.816   0.556  1.00  0.00           C  
HETATM   39  C   UNL     1      16.366   3.469   0.631  1.00  0.00           C  
HETATM   40  C   UNL     1      17.180   4.750   0.821  1.00  0.00           C  
HETATM   41  H   UNL     1      -2.222  -3.001   3.946  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.424  -4.800   0.007  1.00  0.00           H  
HETATM   43  H   UNL     1       0.980  -3.985   0.735  1.00  0.00           H  
HETATM   44  H   UNL     1       1.050  -4.000  -1.776  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.552  -2.463  -2.953  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.353  -3.878  -2.228  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.988  -1.234   0.022  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.187   0.181  -0.703  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.531  -1.353  -1.916  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.730   0.062  -2.641  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.154   0.011   0.059  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.353   1.426  -0.666  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.896   1.307  -2.604  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.697  -0.108  -1.879  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.320   1.256   0.095  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.519   2.671  -0.629  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.062   2.552  -2.567  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.863   1.137  -1.843  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.486   2.501   0.132  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.685   3.916  -0.592  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.404   3.677  -2.592  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.545   3.224  -1.623  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.145   1.749   0.529  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.759   2.807   0.884  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.286   4.755   1.035  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.672   3.696   0.680  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.180   2.370   2.716  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.794   3.428   3.071  1.00  0.00           H  
HETATM   69  H   UNL     1     -15.707   4.317   2.867  1.00  0.00           H  
HETATM   70  H   UNL     1     -14.789   4.106   4.378  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.321   5.376   3.223  1.00  0.00           H  
HETATM   72  H   UNL     1       3.062  -0.363   0.157  1.00  0.00           H  
HETATM   73  H   UNL     1       3.192  -0.183  -1.609  1.00  0.00           H  
HETATM   74  H   UNL     1       5.160  -1.691  -1.617  1.00  0.00           H  
HETATM   75  H   UNL     1       5.030  -1.871   0.149  1.00  0.00           H  
HETATM   76  H   UNL     1       5.364   0.571   0.422  1.00  0.00           H  
HETATM   77  H   UNL     1       5.494   0.751  -1.344  1.00  0.00           H  
HETATM   78  H   UNL     1       7.462  -0.757  -1.353  1.00  0.00           H  
HETATM   79  H   UNL     1       7.332  -0.937   0.414  1.00  0.00           H  
HETATM   80  H   UNL     1       7.666   1.505   0.687  1.00  0.00           H  
HETATM   81  H   UNL     1       7.796   1.685  -1.079  1.00  0.00           H  
HETATM   82  H   UNL     1       9.765   0.177  -1.088  1.00  0.00           H  
HETATM   83  H   UNL     1       9.635  -0.003   0.678  1.00  0.00           H  
HETATM   84  H   UNL     1       9.968   2.439   0.952  1.00  0.00           H  
HETATM   85  H   UNL     1      10.099   2.618  -0.815  1.00  0.00           H  
HETATM   86  H   UNL     1      12.067   1.110  -0.823  1.00  0.00           H  
HETATM   87  H   UNL     1      11.937   0.931   0.943  1.00  0.00           H  
HETATM   88  H   UNL     1      12.271   3.372   1.216  1.00  0.00           H  
HETATM   89  H   UNL     1      12.401   3.552  -0.550  1.00  0.00           H  
HETATM   90  H   UNL     1      14.369   2.044  -0.558  1.00  0.00           H  
HETATM   91  H   UNL     1      14.239   1.864   1.208  1.00  0.00           H  
HETATM   92  H   UNL     1      14.573   4.306   1.481  1.00  0.00           H  
HETATM   93  H   UNL     1      14.703   4.486  -0.285  1.00  0.00           H  
HETATM   94  H   UNL     1      16.671   2.978  -0.294  1.00  0.00           H  
HETATM   95  H   UNL     1      16.541   2.798   1.472  1.00  0.00           H  
HETATM   96  H   UNL     1      18.240   4.502   0.874  1.00  0.00           H  
HETATM   97  H   UNL     1      17.005   5.420  -0.020  1.00  0.00           H  
HETATM   98  H   UNL     1      16.875   5.240   1.746  1.00  0.00           H  
CONECT    1    3                                                      
CONECT    2    3    3                                                 
CONECT    3    1    2    2    4                                       
CONECT    3    5                                                      
CONECT    4    3   41                                                 
CONECT    5    3    6                                                 
CONECT    6    5    7   42   43                                       
CONECT    7    6    8   25   44                                       
CONECT    8    7    9   45   46                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   47   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   20   61                                       
CONECT   20   19   19   21   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   24   67   68                                       
CONECT   24   23   69   70   71                                       
CONECT   25    7   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   72   73                                       
CONECT   29   28   30   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   36   86   87                                       
CONECT   36   35   37   88   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   39   92   93                                       
CONECT   39   38   40   94   95                                       
CONECT   40   39   96   97   98                                       
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
