COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -9.662   0.339   0.752  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.170   0.111   0.869  1.00  0.00           C  
HETATM    3  O   UNL     1      -9.411   0.398  -2.115  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.793  -1.887   1.837  1.00  0.00           O  
HETATM    5  P   UNL     1      -6.535  -1.630   0.403  1.00  0.00           P  
HETATM    6  O   UNL     1      -6.639  -3.012  -0.417  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.060  -1.010   0.225  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.882  -1.648   0.723  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.658  -0.796   0.385  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.737   0.449   1.082  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.412   1.479   0.357  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.388  -1.537   0.807  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.241  -0.795   0.387  1.00  0.00           O  
HETATM   14  C   UNL     1       1.005  -1.403   0.734  1.00  0.00           C  
HETATM   15  C   UNL     1       2.156  -0.527   0.237  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.626  -0.589  -0.161  1.00  0.00           O  
HETATM   17  C   UNL     1      -9.035  -0.802  -0.051  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.654  -0.843  -1.449  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.163  -1.071  -1.332  1.00  0.00           C  
HETATM   20  O   UNL     1     -11.742  -1.110  -2.638  1.00  0.00           O  
HETATM   21  C   UNL     1     -11.790   0.070  -0.529  1.00  0.00           C  
HETATM   22  O   UNL     1     -13.199  -0.144  -0.420  1.00  0.00           O  
HETATM   23  O   UNL     1      -9.419   1.580   0.086  1.00  0.00           O  
HETATM   24  C   UNL     1      -9.324   2.703   0.965  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.063   3.970   0.148  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.271   4.257  -0.746  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.838   5.150   1.095  1.00  0.00           C  
HETATM   28  H   UNL     1      -9.221   0.368   1.748  1.00  0.00           H  
HETATM   29  H   UNL     1     -11.356  -0.836   1.377  1.00  0.00           H  
HETATM   30  H   UNL     1     -11.618   0.924   1.441  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.777   0.443  -3.009  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.481  -2.919  -1.367  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.959  -1.760   1.805  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.779  -2.631   0.263  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.630  -0.610  -0.689  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.430   2.391   0.954  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.888   1.668  -0.580  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.434   1.164   0.145  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.373  -1.645   1.892  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.372  -2.523   0.344  1.00  0.00           H  
HETATM   41  H   UNL     1       1.069  -1.508   1.817  1.00  0.00           H  
HETATM   42  H   UNL     1       1.070  -2.387   0.269  1.00  0.00           H  
HETATM   43  H   UNL     1       2.092  -0.422  -0.846  1.00  0.00           H  
HETATM   44  H   UNL     1       2.091   0.457   0.702  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.220  -1.748   0.457  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.207  -1.656  -2.021  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.349  -2.018  -0.824  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.698  -1.252  -2.640  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.605   1.016  -1.037  1.00  0.00           H  
HETATM   50  H   UNL     1     -13.663   0.543   0.078  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.257   2.812   1.517  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.503   2.547   1.666  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.178   3.827  -0.472  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.086   5.160  -1.328  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.432   3.416  -1.421  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.156   4.400  -0.126  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.977   4.945   1.732  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.653   6.053   0.513  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.723   5.293   1.715  1.00  0.00           H  
HETATM   60  C   UNL     1       3.490  -1.179   0.608  1.00  0.00           C  
HETATM   61  C   UNL     1       4.641  -0.302   0.112  1.00  0.00           C  
HETATM   62  C   UNL     1       5.975  -0.954   0.483  1.00  0.00           C  
HETATM   63  C   UNL     1       7.127  -0.078  -0.013  1.00  0.00           C  
HETATM   64  C   UNL     1       8.460  -0.729   0.358  1.00  0.00           C  
HETATM   65  C   UNL     1       9.612   0.147  -0.139  1.00  0.00           C  
HETATM   66  C   UNL     1      10.945  -0.504   0.233  1.00  0.00           C  
HETATM   67  C   UNL     1      12.097   0.372  -0.264  1.00  0.00           C  
HETATM   68  C   UNL     1      13.431  -0.280   0.108  1.00  0.00           C  
HETATM   69  C   UNL     1      14.582   0.597  -0.389  1.00  0.00           C  
HETATM   70  C   UNL     1      15.916  -0.055  -0.018  1.00  0.00           C  
HETATM   71  C   UNL     1      17.067   0.822  -0.514  1.00  0.00           C  
HETATM   72  C   UNL     1      18.401   0.170  -0.143  1.00  0.00           C  
HETATM   73  C   UNL     1      19.553   1.046  -0.639  1.00  0.00           C  
HETATM   74  C   UNL     1      20.886   0.395  -0.268  1.00  0.00           C  
HETATM   75  C   UNL     1      22.038   1.271  -0.765  1.00  0.00           C  
HETATM   76  H   UNL     1       3.554  -1.283   1.691  1.00  0.00           H  
HETATM   77  H   UNL     1       3.555  -2.162   0.144  1.00  0.00           H  
HETATM   78  H   UNL     1       4.577  -0.198  -0.971  1.00  0.00           H  
HETATM   79  H   UNL     1       4.576   0.682   0.576  1.00  0.00           H  
HETATM   80  H   UNL     1       6.039  -1.059   1.566  1.00  0.00           H  
HETATM   81  H   UNL     1       6.041  -1.938   0.019  1.00  0.00           H  
HETATM   82  H   UNL     1       7.062   0.027  -1.097  1.00  0.00           H  
HETATM   83  H   UNL     1       7.061   0.906   0.451  1.00  0.00           H  
HETATM   84  H   UNL     1       8.524  -0.834   1.441  1.00  0.00           H  
HETATM   85  H   UNL     1       8.526  -1.713  -0.107  1.00  0.00           H  
HETATM   86  H   UNL     1       9.548   0.252  -1.222  1.00  0.00           H  
HETATM   87  H   UNL     1       9.546   1.131   0.326  1.00  0.00           H  
HETATM   88  H   UNL     1      11.009  -0.609   1.316  1.00  0.00           H  
HETATM   89  H   UNL     1      11.011  -1.488  -0.232  1.00  0.00           H  
HETATM   90  H   UNL     1      12.033   0.477  -1.347  1.00  0.00           H  
HETATM   91  H   UNL     1      12.031   1.356   0.201  1.00  0.00           H  
HETATM   92  H   UNL     1      13.495  -0.384   1.191  1.00  0.00           H  
HETATM   93  H   UNL     1      13.496  -1.263  -0.357  1.00  0.00           H  
HETATM   94  H   UNL     1      14.518   0.702  -1.472  1.00  0.00           H  
HETATM   95  H   UNL     1      14.517   1.581   0.076  1.00  0.00           H  
HETATM   96  H   UNL     1      15.980  -0.160   1.066  1.00  0.00           H  
HETATM   97  H   UNL     1      15.981  -1.038  -0.482  1.00  0.00           H  
HETATM   98  H   UNL     1      17.003   0.926  -1.597  1.00  0.00           H  
HETATM   99  H   UNL     1      17.002   1.806  -0.049  1.00  0.00           H  
HETATM  100  H   UNL     1      18.465   0.065   0.940  1.00  0.00           H  
HETATM  101  H   UNL     1      18.466  -0.814  -0.607  1.00  0.00           H  
HETATM  102  H   UNL     1      19.489   1.151  -1.722  1.00  0.00           H  
HETATM  103  H   UNL     1      19.487   2.030  -0.175  1.00  0.00           H  
HETATM  104  H   UNL     1      20.950   0.290   0.815  1.00  0.00           H  
HETATM  105  H   UNL     1      20.952  -0.589  -0.733  1.00  0.00           H  
HETATM  106  H   UNL     1      21.974   1.376  -1.848  1.00  0.00           H  
HETATM  107  H   UNL     1      21.972   2.255  -0.300  1.00  0.00           H  
HETATM  108  H   UNL     1      22.988   0.807  -0.500  1.00  0.00           H  
CONECT    1   17   23    2   28                                       
CONECT    2    1   21   29   30                                       
CONECT    3   18   31                                                 
CONECT    4    5    5                                                 
CONECT    5    4    4    7    6                                       
CONECT    5   16                                                      
CONECT    6    5   32                                                 
CONECT    7    8    5                                                 
CONECT    8    9    7   33   34                                       
CONECT    9   12   10    8   35                                       
CONECT   10    9   11                                                 
CONECT   11   10   36   37   38                                       
CONECT   12    9   13   39   40                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   41   42                                       
CONECT   15   14   43   44   60                                       
CONECT   16    5   17                                                 
CONECT   17   16   18    1   45                                       
CONECT   18    3   17   19   46                                       
CONECT   19   18   20   21   47                                       
CONECT   20   19   48                                                 
CONECT   21   19    2   22   49                                       
CONECT   22   21   50                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25   51   52                                       
CONECT   25   24   27   26   53                                       
CONECT   26   25   54   55   56                                       
CONECT   27   25   57   58   59                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   15   61   76   77                                       
CONECT   61   60   62   78   79                                       
CONECT   62   61   63   80   81                                       
CONECT   63   62   64   82   83                                       
CONECT   64   63   65   84   85                                       
CONECT   65   64   66   86   87                                       
CONECT   66   65   67   88   89                                       
CONECT   67   66   68   90   91                                       
CONECT   68   67   69   92   93                                       
CONECT   69   68   70   94   95                                       
CONECT   70   69   71   96   97                                       
CONECT   71   70   72   98   99                                       
CONECT   72   71   73  100  101                                       
CONECT   73   72   74  102  103                                       
CONECT   74   73   75  104  105                                       
CONECT   75   74  106  107  108                                       
CONECT   76   60                                                      
CONECT   77   60                                                      
CONECT   78   61                                                      
CONECT   79   61                                                      
CONECT   80   62                                                      
CONECT   81   62                                                      
CONECT   82   63                                                      
CONECT   83   63                                                      
CONECT   84   64                                                      
CONECT   85   64                                                      
CONECT   86   65                                                      
CONECT   87   65                                                      
CONECT   88   66                                                      
CONECT   89   66                                                      
CONECT   90   67                                                      
CONECT   91   67                                                      
CONECT   92   68                                                      
CONECT   93   68                                                      
CONECT   94   69                                                      
CONECT   95   69                                                      
CONECT   96   70                                                      
CONECT   97   70                                                      
CONECT   98   71                                                      
CONECT   99   71                                                      
CONECT  100   72                                                      
CONECT  101   72                                                      
CONECT  102   73                                                      
CONECT  103   73                                                      
CONECT  104   74                                                      
CONECT  105   74                                                      
CONECT  106   75                                                      
CONECT  107   75                                                      
CONECT  108   75                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
