COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -1.808  -3.778   2.042  1.00  0.00           P  
HETATM    2  O   UNL     1      -1.322  -3.169   0.633  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.628  -4.202   2.829  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.623  -2.656   2.859  1.00  0.00           O  
HETATM    5  O   UNL     1      -2.761  -5.048   1.777  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.484  -3.885  -0.277  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.215  -3.021  -1.511  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.546  -2.580  -2.124  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.347  -1.913  -1.114  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.927  -1.619  -2.631  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.553  -1.462  -1.493  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.442  -0.760  -0.498  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.748  -0.350  -1.182  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.650   0.363  -0.172  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.956   0.772  -0.855  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.858   1.485   0.154  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.164   1.894  -0.529  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.066   2.607   0.481  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.373   3.017  -0.203  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.274   3.730   0.807  1.00  0.00           C  
HETATM   21  C   UNL     1     -14.581   4.139   0.124  1.00  0.00           C  
HETATM   22  C   UNL     1     -15.483   4.852   1.133  1.00  0.00           C  
HETATM   23  C   UNL     1     -16.789   5.262   0.450  1.00  0.00           C  
HETATM   24  O   UNL     1       0.551  -1.850  -1.124  1.00  0.00           O  
HETATM   25  O   UNL     1       2.402  -2.996  -1.503  1.00  0.00           O  
HETATM   26  C   UNL     1       1.888  -1.957  -1.160  1.00  0.00           C  
HETATM   27  C   UNL     1       2.749  -0.783  -0.771  1.00  0.00           C  
HETATM   28  C   UNL     1       4.225  -1.168  -0.899  1.00  0.00           C  
HETATM   29  C   UNL     1       5.099   0.024  -0.505  1.00  0.00           C  
HETATM   30  C   UNL     1       6.574  -0.361  -0.632  1.00  0.00           C  
HETATM   31  C   UNL     1       7.448   0.831  -0.238  1.00  0.00           C  
HETATM   32  C   UNL     1       8.924   0.446  -0.366  1.00  0.00           C  
HETATM   33  C   UNL     1       9.798   1.638   0.028  1.00  0.00           C  
HETATM   34  C   UNL     1      11.273   1.253  -0.100  1.00  0.00           C  
HETATM   35  C   UNL     1      12.147   2.445   0.295  1.00  0.00           C  
HETATM   36  C   UNL     1      13.623   2.060   0.167  1.00  0.00           C  
HETATM   37  C   UNL     1      14.497   3.253   0.561  1.00  0.00           C  
HETATM   38  C   UNL     1      15.972   2.868   0.433  1.00  0.00           C  
HETATM   39  C   UNL     1      16.846   4.060   0.827  1.00  0.00           C  
HETATM   40  C   UNL     1      18.321   3.675   0.700  1.00  0.00           C  
HETATM   41  H   UNL     1      -2.947  -2.954   3.720  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.556  -4.844   1.266  1.00  0.00           H  
HETATM   43  H   UNL     1       0.461  -4.126   0.211  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.981  -4.807  -0.581  1.00  0.00           H  
HETATM   45  H   UNL     1       0.349  -3.598  -2.243  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.355  -1.893  -2.949  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.082  -3.454  -2.496  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.661  -1.432   0.331  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.934   0.128  -0.122  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.529   0.322  -2.011  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.255  -1.239  -1.558  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.869  -0.310   0.658  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.143   1.251   0.204  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.737   1.444  -1.685  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.463  -0.116  -1.232  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.077   0.813   0.984  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.351   2.373   0.531  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.945   2.567  -1.359  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.672   1.006  -0.905  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.285   1.935   1.310  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.559   3.496   0.857  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.153   3.689  -1.032  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.880   2.128  -0.579  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.493   3.058   1.637  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.767   4.618   1.183  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.362   4.811  -0.706  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.088   3.251  -0.252  1.00  0.00           H  
HETATM   68  H   UNL     1     -15.702   4.180   1.963  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.975   5.741   1.510  1.00  0.00           H  
HETATM   70  H   UNL     1     -17.431   5.770   1.169  1.00  0.00           H  
HETATM   71  H   UNL     1     -16.570   5.934  -0.380  1.00  0.00           H  
HETATM   72  H   UNL     1     -17.296   4.373   0.074  1.00  0.00           H  
HETATM   73  H   UNL     1       2.535   0.058  -1.430  1.00  0.00           H  
HETATM   74  H   UNL     1       2.536  -0.501   0.259  1.00  0.00           H  
HETATM   75  H   UNL     1       4.439  -2.010  -0.240  1.00  0.00           H  
HETATM   76  H   UNL     1       4.439  -1.451  -1.930  1.00  0.00           H  
HETATM   77  H   UNL     1       4.885   0.865  -1.164  1.00  0.00           H  
HETATM   78  H   UNL     1       4.885   0.306   0.526  1.00  0.00           H  
HETATM   79  H   UNL     1       6.788  -1.202   0.027  1.00  0.00           H  
HETATM   80  H   UNL     1       6.788  -0.643  -1.663  1.00  0.00           H  
HETATM   81  H   UNL     1       7.234   1.673  -0.897  1.00  0.00           H  
HETATM   82  H   UNL     1       7.234   1.114   0.793  1.00  0.00           H  
HETATM   83  H   UNL     1       9.138  -0.395   0.293  1.00  0.00           H  
HETATM   84  H   UNL     1       9.137   0.164  -1.397  1.00  0.00           H  
HETATM   85  H   UNL     1       9.583   2.480  -0.631  1.00  0.00           H  
HETATM   86  H   UNL     1       9.584   1.921   1.059  1.00  0.00           H  
HETATM   87  H   UNL     1      11.487   0.412   0.560  1.00  0.00           H  
HETATM   88  H   UNL     1      11.487   0.971  -1.130  1.00  0.00           H  
HETATM   89  H   UNL     1      11.933   3.287  -0.364  1.00  0.00           H  
HETATM   90  H   UNL     1      11.933   2.728   1.325  1.00  0.00           H  
HETATM   91  H   UNL     1      13.837   1.219   0.826  1.00  0.00           H  
HETATM   92  H   UNL     1      14.282   4.094  -0.098  1.00  0.00           H  
HETATM   93  H   UNL     1      16.186   2.026   1.092  1.00  0.00           H  
HETATM   94  H   UNL     1      16.186   2.585  -0.597  1.00  0.00           H  
HETATM   95  H   UNL     1      16.632   4.901   0.168  1.00  0.00           H  
HETATM   96  H   UNL     1      18.536   2.833   1.359  1.00  0.00           H  
HETATM   97  H   UNL     1      18.535   3.392  -0.331  1.00  0.00           H  
HETATM   98  H   UNL     1      13.836   1.778  -0.864  1.00  0.00           H  
HETATM   99  H   UNL     1      14.283   3.535   1.592  1.00  0.00           H  
HETATM  100  H   UNL     1      16.632   4.342   1.858  1.00  0.00           H  
HETATM  101  H   UNL     1      18.944   4.524   0.981  1.00  0.00           H  
CONECT    1    2    4    3    3                                       
CONECT    1    5                                                      
CONECT    2    1    6                                                 
CONECT    3    1    1                                                 
CONECT    4    1   41                                                 
CONECT    5    1   42                                                 
CONECT    6    2   43   44    7                                       
CONECT    7    6   45    8   24                                       
CONECT    8    7   46   47    9                                       
CONECT    9    8   11                                                 
CONECT   10   11   11                                                 
CONECT   11   10   10    9   12                                       
CONECT   12   11   48   49   13                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   54   55   16                                       
CONECT   16   15   17   56   57                                       
CONECT   17   16   58   59   18                                       
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   62   63                                       
CONECT   20   19   64   65   21                                       
CONECT   21   20   22   66   67                                       
CONECT   22   21   23   68   69                                       
CONECT   23   22   70   71   72                                       
CONECT   24    7   26                                                 
CONECT   25   26   26                                                 
CONECT   26   24   25   25   27                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   75   76   29                                       
CONECT   29   28   30   77   78                                       
CONECT   30   29   79   80   31                                       
CONECT   31   30   81   82   32                                       
CONECT   32   31   83   84   33                                       
CONECT   33   32   85   86   34                                       
CONECT   34   33   87   88   35                                       
CONECT   35   34   36   89   90                                       
CONECT   36   35   37   91   98                                       
CONECT   37   36   38   92   99                                       
CONECT   38   37   39   93   94                                       
CONECT   39   38   40   95  100                                       
CONECT   40   39   96   97  101                                       
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   39                                                      
CONECT  101   40                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
