COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.416   0.398 -16.588  1.00  0.00           O  
HETATM    2  P   UNL     1      -1.007   0.277 -15.818  1.00  0.00           P  
HETATM    3  O   UNL     1      -0.391  -1.033 -16.122  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.027   1.457 -16.306  1.00  0.00           O  
HETATM    5  O   UNL     1      -1.250   0.402 -14.231  1.00  0.00           O  
HETATM    6  P   UNL     1       0.192   0.273 -13.529  1.00  0.00           P  
HETATM    7  O   UNL     1       0.790  -1.037 -13.868  1.00  0.00           O  
HETATM    8  O   UNL     1       1.153   1.453 -14.054  1.00  0.00           O  
HETATM    9  O   UNL     1       0.024   0.389 -11.932  1.00  0.00           O  
HETATM   10  C   UNL     1       1.331   0.268 -11.369  1.00  0.00           C  
HETATM   11  C   UNL     1       1.243   0.369  -9.868  1.00  0.00           C  
HETATM   12  C   UNL     1       1.913  -0.467  -9.114  1.00  0.00           C  
HETATM   13  C   UNL     1       2.864  -1.453  -9.744  1.00  0.00           C  
HETATM   14  C   UNL     1       1.733  -0.444  -7.618  1.00  0.00           C  
HETATM   15  C   UNL     1       0.602  -1.396  -7.226  1.00  0.00           C  
HETATM   16  C   UNL     1       0.422  -1.373  -5.730  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.747  -1.084  -5.215  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.940  -0.892  -6.116  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.899  -0.942  -3.722  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.647   0.511  -3.319  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.799   0.652  -1.827  1.00  0.00           C  
HETATM   22  C   UNL     1       0.171   1.168  -1.115  1.00  0.00           C  
HETATM   23  C   UNL     1       1.390   1.732  -1.800  1.00  0.00           C  
HETATM   24  C   UNL     1       0.070   1.199   0.387  1.00  0.00           C  
HETATM   25  C   UNL     1       0.672  -0.083   0.965  1.00  0.00           C  
HETATM   26  C   UNL     1       0.571  -0.052   2.468  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.030  -1.027   3.104  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.726  -2.116   2.329  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.026  -1.059   4.611  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.246  -0.303   5.140  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.242  -0.335   6.647  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.285   0.783   7.326  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.455   2.096   6.605  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.165   0.759   8.828  1.00  0.00           C  
HETATM   35  C   UNL     1       0.307   0.873   9.224  1.00  0.00           C  
HETATM   36  C   UNL     1       0.428   0.849  10.726  1.00  0.00           C  
HETATM   37  C   UNL     1       1.209  -0.027  11.306  1.00  0.00           C  
HETATM   38  C   UNL     1       2.077  -0.933  10.470  1.00  0.00           C  
HETATM   39  C   UNL     1       1.241  -0.130  12.809  1.00  0.00           C  
HETATM   40  C   UNL     1       0.191  -1.140  13.274  1.00  0.00           C  
HETATM   41  C   UNL     1       0.223  -1.243  14.777  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.872  -1.054  15.470  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.186  -0.854  14.761  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.817  -1.036  16.976  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.569   0.392  17.460  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.514   0.410  18.966  1.00  0.00           C  
HETATM   47  C   UNL     1       0.526   0.919  19.578  1.00  0.00           C  
HETATM   48  C   UNL     1       0.636   0.828  21.078  1.00  0.00           C  
HETATM   49  C   UNL     1       1.612   1.594  18.782  1.00  0.00           C  
HETATM   50  H   UNL     1      -2.227   0.319 -17.532  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.465   2.292 -16.090  1.00  0.00           H  
HETATM   52  H   UNL     1       0.727   2.287 -13.814  1.00  0.00           H  
HETATM   53  H   UNL     1       1.967   1.067 -11.750  1.00  0.00           H  
HETATM   54  H   UNL     1       1.757  -0.697 -11.643  1.00  0.00           H  
HETATM   55  H   UNL     1       0.628   1.131  -9.413  1.00  0.00           H  
HETATM   56  H   UNL     1       3.583  -0.918 -10.365  1.00  0.00           H  
HETATM   57  H   UNL     1       3.393  -1.997  -8.962  1.00  0.00           H  
HETATM   58  H   UNL     1       2.303  -2.155 -10.360  1.00  0.00           H  
HETATM   59  H   UNL     1       1.484   0.567  -7.298  1.00  0.00           H  
HETATM   60  H   UNL     1       2.658  -0.761  -7.136  1.00  0.00           H  
HETATM   61  H   UNL     1       0.851  -2.408  -7.546  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.322  -1.080  -7.708  1.00  0.00           H  
HETATM   63  H   UNL     1       1.257  -1.595  -5.082  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.065  -1.773  -6.745  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.833  -0.748  -5.509  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.783  -0.016  -6.745  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.178  -1.588  -3.221  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.909  -1.231  -3.431  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.368   1.157  -3.821  1.00  0.00           H  
HETATM   70  H   UNL     1       0.362   0.799  -3.611  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.709   0.328  -1.344  1.00  0.00           H  
HETATM   72  H   UNL     1       1.082   2.481  -2.530  1.00  0.00           H  
HETATM   73  H   UNL     1       2.042   2.193  -1.059  1.00  0.00           H  
HETATM   74  H   UNL     1       1.926   0.929  -2.307  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.977   1.272   0.679  1.00  0.00           H  
HETATM   76  H   UNL     1       0.615   2.061   0.771  1.00  0.00           H  
HETATM   77  H   UNL     1       1.720  -0.156   0.673  1.00  0.00           H  
HETATM   78  H   UNL     1       0.127  -0.945   0.581  1.00  0.00           H  
HETATM   79  H   UNL     1       0.995   0.772   3.021  1.00  0.00           H  
HETATM   80  H   UNL     1       0.008  -2.678   1.753  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.235  -2.786   3.021  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.455  -1.671   1.652  1.00  0.00           H  
HETATM   83  H   UNL     1       0.883  -0.586   4.982  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.063  -2.093   4.952  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.155  -0.776   4.769  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.209   0.731   4.799  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.204  -1.281   7.167  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.418   2.108   6.094  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.415   2.914   7.325  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.655   2.215   5.875  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.572  -0.177   9.209  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.721   1.595   9.251  1.00  0.00           H  
HETATM   93  H   UNL     1       0.714   1.810   8.842  1.00  0.00           H  
HETATM   94  H   UNL     1       0.864   0.037   8.801  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.130   1.553  11.324  1.00  0.00           H  
HETATM   96  H   UNL     1       2.791  -0.333   9.906  1.00  0.00           H  
HETATM   97  H   UNL     1       2.615  -1.622  11.120  1.00  0.00           H  
HETATM   98  H   UNL     1       1.452  -1.498   9.779  1.00  0.00           H  
HETATM   99  H   UNL     1       1.025   0.845  13.244  1.00  0.00           H  
HETATM  100  H   UNL     1       2.230  -0.459  13.130  1.00  0.00           H  
HETATM  101  H   UNL     1       0.408  -2.116  12.838  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.796  -0.811  12.953  1.00  0.00           H  
HETATM  103  H   UNL     1       1.149  -1.472  15.283  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.365  -1.690  14.084  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.991  -0.803  15.495  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.155   0.073  14.191  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.008  -1.682  17.317  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.764  -1.397  17.378  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.378   1.038  17.118  1.00  0.00           H  
HETATM  110  H   UNL     1       0.377   0.753  17.058  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.333   0.004  19.541  1.00  0.00           H  
HETATM  112  H   UNL     1       1.562   1.302  21.403  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.211   1.335  21.537  1.00  0.00           H  
HETATM  114  H   UNL     1       0.640  -0.219  21.379  1.00  0.00           H  
HETATM  115  H   UNL     1       1.176   2.381  18.166  1.00  0.00           H  
HETATM  116  H   UNL     1       2.344   2.030  19.462  1.00  0.00           H  
HETATM  117  H   UNL     1       2.102   0.861  18.141  1.00  0.00           H  
CONECT    1    2   50                                                 
CONECT    2    1    3    3    4                                       
CONECT    2    5                                                      
CONECT    3    2    2                                                 
CONECT    4    2   51                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   52                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   53   54                                       
CONECT   11   10   12   12   55                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   56   57   58                                       
CONECT   14   12   15   59   60                                       
CONECT   15   14   16   61   62                                       
CONECT   16   15   17   17   63                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   64   65   66                                       
CONECT   19   17   20   67   68                                       
CONECT   20   19   21   69   70                                       
CONECT   21   20   22   22   71                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   72   73   74                                       
CONECT   24   22   25   75   76                                       
CONECT   25   24   26   77   78                                       
CONECT   26   25   27   27   79                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27   80   81   82                                       
CONECT   29   27   30   83   84                                       
CONECT   30   29   31   85   86                                       
CONECT   31   30   32   32   87                                       
CONECT   32   31   31   33   34                                       
CONECT   33   32   88   89   90                                       
CONECT   34   32   35   91   92                                       
CONECT   35   34   36   93   94                                       
CONECT   36   35   37   37   95                                       
CONECT   37   36   36   38   39                                       
CONECT   38   37   96   97   98                                       
CONECT   39   37   40   99  100                                       
CONECT   40   39   41  101  102                                       
CONECT   41   40   42   42  103                                       
CONECT   42   41   41   43   44                                       
CONECT   43   42  104  105  106                                       
CONECT   44   42   45  107  108                                       
CONECT   45   44   46  109  110                                       
CONECT   46   45   47   47  111                                       
CONECT   47   46   46   48   49                                       
CONECT   48   47  112  113  114                                       
CONECT   49   47  115  116  117                                       
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   39                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   48                                                      
CONECT  115   49                                                      
CONECT  116   49                                                      
CONECT  117   49                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
