COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -7.298   2.664   0.433  1.00  0.00           P  
HETATM    2  O   UNL     1      -8.117   1.298   0.203  1.00  0.00           O  
HETATM    3  O   UNL     1      -7.832   3.789  -0.588  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.731   2.402   0.169  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.493   3.128   1.824  1.00  0.00           O  
HETATM    6  C   UNL     1      -9.518   1.177   0.460  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.975  -0.247   0.137  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.444  -0.412   0.529  1.00  0.00           C  
HETATM    9  O   UNL     1     -11.845  -1.794   0.333  1.00  0.00           O  
HETATM   10  O   UNL     1     -13.867  -1.257   1.045  1.00  0.00           O  
HETATM   11  C   UNL     1     -13.115  -2.108   0.633  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.604  -3.523   0.456  1.00  0.00           C  
HETATM   13  C   UNL     1     -15.075  -3.610   0.866  1.00  0.00           C  
HETATM   14  O   UNL     1      -9.823  -0.493  -1.286  1.00  0.00           O  
HETATM   15  O   UNL     1      -9.478  -2.628  -0.830  1.00  0.00           O  
HETATM   16  C   UNL     1      -9.570  -1.757  -1.662  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.399  -2.089  -3.122  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.122  -3.586  -3.276  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.949  -3.923  -4.758  1.00  0.00           C  
HETATM   20  P   UNL     1       0.395   4.043   0.458  1.00  0.00           P  
HETATM   21  O   UNL     1       1.640   3.046   0.235  1.00  0.00           O  
HETATM   22  O   UNL     1       0.408   4.544   1.851  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.981   3.253   0.185  1.00  0.00           O  
HETATM   24  O   UNL     1       0.513   5.284  -0.560  1.00  0.00           O  
HETATM   25  C   UNL     1       2.993   3.419   0.501  1.00  0.00           C  
HETATM   26  C   UNL     1       3.918   2.242   0.183  1.00  0.00           C  
HETATM   27  C   UNL     1       5.375   2.680   0.349  1.00  0.00           C  
HETATM   28  O   UNL     1       6.254   1.602  -0.066  1.00  0.00           O  
HETATM   29  O   UNL     1       7.983   2.888   0.424  1.00  0.00           O  
HETATM   30  C   UNL     1       7.575   1.826   0.018  1.00  0.00           C  
HETATM   31  C   UNL     1       8.550   0.753  -0.396  1.00  0.00           C  
HETATM   32  C   UNL     1       9.980   1.261  -0.203  1.00  0.00           C  
HETATM   33  C   UNL     1      10.969   0.172  -0.623  1.00  0.00           C  
HETATM   34  C   UNL     1      12.399   0.680  -0.430  1.00  0.00           C  
HETATM   35  C   UNL     1      13.388  -0.409  -0.850  1.00  0.00           C  
HETATM   36  C   UNL     1      14.818   0.099  -0.657  1.00  0.00           C  
HETATM   37  C   UNL     1      15.807  -0.990  -1.076  1.00  0.00           C  
HETATM   38  C   UNL     1      17.238  -0.482  -0.884  1.00  0.00           C  
HETATM   39  C   UNL     1      18.227  -1.571  -1.303  1.00  0.00           C  
HETATM   40  C   UNL     1      19.657  -1.063  -1.111  1.00  0.00           C  
HETATM   41  O   UNL     1       3.636   1.146   1.092  1.00  0.00           O  
HETATM   42  O   UNL     1       4.257  -0.263  -0.494  1.00  0.00           O  
HETATM   43  C   UNL     1       3.849  -0.097   0.632  1.00  0.00           C  
HETATM   44  C   UNL     1       3.578  -1.286   1.518  1.00  0.00           C  
HETATM   45  C   UNL     1       3.900  -2.573   0.757  1.00  0.00           C  
HETATM   46  C   UNL     1       3.625  -3.780   1.656  1.00  0.00           C  
HETATM   47  C   UNL     1       3.947  -5.068   0.895  1.00  0.00           C  
HETATM   48  C   UNL     1       3.672  -6.274   1.795  1.00  0.00           C  
HETATM   49  C   UNL     1       3.993  -7.562   1.034  1.00  0.00           C  
HETATM   50  C   UNL     1       3.719  -8.768   1.933  1.00  0.00           C  
HETATM   51  C   UNL     1       4.040 -10.056   1.172  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.268   3.834   0.401  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.354   2.817   0.045  1.00  0.00           C  
HETATM   54  O   UNL     1      -3.298   2.531  -1.354  1.00  0.00           O  
HETATM   55  C   UNL     1      -4.727   3.394   0.393  1.00  0.00           C  
HETATM   56  H   UNL     1      -7.736   3.552  -1.520  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.714   1.393   1.510  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.064   1.884  -0.165  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.368  -0.959   0.696  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.574  -0.141   1.577  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.061   0.237  -0.093  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.500  -3.815  -0.589  1.00  0.00           H  
HETATM   63  H   UNL     1     -15.179  -3.318   1.911  1.00  0.00           H  
HETATM   64  H   UNL     1     -15.666  -2.940   0.241  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.311  -1.831  -3.662  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.563  -1.521  -3.529  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.211  -3.844  -2.736  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.958  -4.154  -2.869  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.751  -4.989  -4.867  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.860  -3.665  -5.298  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.113  -3.355  -5.165  1.00  0.00           H  
HETATM   72  H   UNL     1       0.510   5.029  -1.493  1.00  0.00           H  
HETATM   73  H   UNL     1       3.264   4.272  -0.120  1.00  0.00           H  
HETATM   74  H   UNL     1       3.096   3.688   1.553  1.00  0.00           H  
HETATM   75  H   UNL     1       3.751   1.916  -0.843  1.00  0.00           H  
HETATM   76  H   UNL     1       5.562   3.559  -0.268  1.00  0.00           H  
HETATM   77  H   UNL     1       5.565   2.922   1.394  1.00  0.00           H  
HETATM   78  H   UNL     1       8.394  -0.135   0.218  1.00  0.00           H  
HETATM   79  H   UNL     1       8.391   0.503  -1.444  1.00  0.00           H  
HETATM   80  H   UNL     1      10.135   2.149  -0.816  1.00  0.00           H  
HETATM   81  H   UNL     1      10.138   1.512   0.846  1.00  0.00           H  
HETATM   82  H   UNL     1      10.813  -0.716  -0.009  1.00  0.00           H  
HETATM   83  H   UNL     1      10.810  -0.079  -1.671  1.00  0.00           H  
HETATM   84  H   UNL     1      12.555   1.568  -1.043  1.00  0.00           H  
HETATM   85  H   UNL     1      12.558   0.931   0.619  1.00  0.00           H  
HETATM   86  H   UNL     1      13.232  -1.297  -0.236  1.00  0.00           H  
HETATM   87  H   UNL     1      13.230  -0.660  -1.898  1.00  0.00           H  
HETATM   88  H   UNL     1      14.974   0.987  -1.270  1.00  0.00           H  
HETATM   89  H   UNL     1      14.977   0.350   0.392  1.00  0.00           H  
HETATM   90  H   UNL     1      15.652  -1.878  -0.463  1.00  0.00           H  
HETATM   91  H   UNL     1      15.649  -1.241  -2.125  1.00  0.00           H  
HETATM   92  H   UNL     1      17.393   0.406  -1.497  1.00  0.00           H  
HETATM   93  H   UNL     1      17.396  -0.232   0.165  1.00  0.00           H  
HETATM   94  H   UNL     1      18.071  -2.459  -0.690  1.00  0.00           H  
HETATM   95  H   UNL     1      18.068  -1.822  -2.352  1.00  0.00           H  
HETATM   96  H   UNL     1      19.813  -0.176  -1.724  1.00  0.00           H  
HETATM   97  H   UNL     1      19.816  -0.813  -0.062  1.00  0.00           H  
HETATM   98  H   UNL     1      20.362  -1.839  -1.410  1.00  0.00           H  
HETATM   99  H   UNL     1       4.204  -1.224   2.408  1.00  0.00           H  
HETATM  100  H   UNL     1       2.528  -1.289   1.811  1.00  0.00           H  
HETATM  101  H   UNL     1       3.274  -2.635  -0.134  1.00  0.00           H  
HETATM  102  H   UNL     1       4.950  -2.570   0.464  1.00  0.00           H  
HETATM  103  H   UNL     1       4.251  -3.719   2.547  1.00  0.00           H  
HETATM  104  H   UNL     1       2.575  -3.783   1.949  1.00  0.00           H  
HETATM  105  H   UNL     1       3.321  -5.129   0.004  1.00  0.00           H  
HETATM  106  H   UNL     1       4.997  -5.064   0.602  1.00  0.00           H  
HETATM  107  H   UNL     1       4.297  -6.213   2.685  1.00  0.00           H  
HETATM  108  H   UNL     1       2.622  -6.278   2.088  1.00  0.00           H  
HETATM  109  H   UNL     1       3.368  -7.623   0.143  1.00  0.00           H  
HETATM  110  H   UNL     1       5.043  -7.558   0.741  1.00  0.00           H  
HETATM  111  H   UNL     1       4.344  -8.707   2.824  1.00  0.00           H  
HETATM  112  H   UNL     1       2.669  -8.772   2.226  1.00  0.00           H  
HETATM  113  H   UNL     1       3.845 -10.915   1.813  1.00  0.00           H  
HETATM  114  H   UNL     1       3.415 -10.117   0.281  1.00  0.00           H  
HETATM  115  H   UNL     1       5.090 -10.052   0.879  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.367   4.120   1.448  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.378   4.718  -0.228  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.191   1.899   0.610  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.434   3.304  -1.919  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.927   4.261  -0.236  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.740   3.694   1.441  1.00  0.00           H  
HETATM  122  H   UNL     1     -13.012  -4.192   1.081  1.00  0.00           H  
HETATM  123  H   UNL     1     -15.428  -4.633   0.738  1.00  0.00           H  
CONECT    1    2    4    3    5                                       
CONECT    1    5                                                      
CONECT    2    1    6                                                 
CONECT    3    1   56                                                 
CONECT    4    1   55                                                 
CONECT    5    1    1                                                 
CONECT    6    2    7   57   58                                       
CONECT    7    6   59    8   14                                       
CONECT    8    7    9   60   61                                       
CONECT    9    8   11                                                 
CONECT   10   11   11                                                 
CONECT   11   10   10    9   12                                       
CONECT   12   11   13   62  122                                       
CONECT   13   12   63   64  123                                       
CONECT   14    7   16                                                 
CONECT   15   16   16                                                 
CONECT   16   14   15   15   17                                       
CONECT   17   16   18   65   66                                       
CONECT   18   17   67   68   19                                       
CONECT   19   18   69   70   71                                       
CONECT   20   23   21   24   22                                       
CONECT   20   22                                                      
CONECT   21   20   25                                                 
CONECT   22   20   20                                                 
CONECT   23   20   52                                                 
CONECT   24   20   72                                                 
CONECT   25   21   26   73   74                                       
CONECT   26   25   41   75   27                                       
CONECT   27   26   28   76   77                                       
CONECT   28   27   30                                                 
CONECT   29   30   30                                                 
CONECT   30   29   29   28   31                                       
CONECT   31   30   78   79   32                                       
CONECT   32   31   80   81   33                                       
CONECT   33   32   82   83   34                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   86   87   36                                       
CONECT   36   35   37   88   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   92   93   39                                       
CONECT   39   38   40   94   95                                       
CONECT   40   39   96   97   98                                       
CONECT   41   26   43                                                 
CONECT   42   43   43                                                 
CONECT   43   41   42   42   44                                       
CONECT   44   43   45   99  100                                       
CONECT   45   44   46  101  102                                       
CONECT   46   45  103  104   47                                       
CONECT   47   46  105  106   48                                       
CONECT   48   47   49  107  108                                       
CONECT   49   48  109  110   50                                       
CONECT   50   49   51  111  112                                       
CONECT   51   50  113  114  115                                       
CONECT   52   23  116  117   53                                       
CONECT   53   52   54  118   55                                       
CONECT   54   53  119                                                 
CONECT   55    4   53  120  121                                       
CONECT   56    3                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
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                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   48                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   53                                                      
CONECT  119   54                                                      
CONECT  120   55                                                      
CONECT  121   55                                                      
CONECT  122   12                                                      
CONECT  123   13                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
