COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.308  -1.058   0.776  1.00  0.00           C  
HETATM    2  O   UNL     1       5.323  -2.085   0.912  1.00  0.00           O  
HETATM    3  P   UNL     1       4.970  -3.122  -0.268  1.00  0.00           P  
HETATM    4  C   UNL     1       6.390  -0.269   2.058  1.00  0.00           C  
HETATM    5  O   UNL     1       3.732  -4.047   0.184  1.00  0.00           O  
HETATM    6  P   UNL     1       2.725  -5.029  -0.600  1.00  0.00           P  
HETATM    7  C   UNL     1       6.458   1.039   2.018  1.00  0.00           C  
HETATM    8  O   UNL     1       1.954  -5.964   0.459  1.00  0.00           O  
HETATM    9  C   UNL     1       6.504   1.830   3.300  1.00  0.00           C  
HETATM   10  O   UNL     1       1.652  -4.152  -1.421  1.00  0.00           O  
HETATM   11  C   UNL     1       6.489   1.752   0.691  1.00  0.00           C  
HETATM   12  O   UNL     1       3.493  -5.876  -1.540  1.00  0.00           O  
HETATM   13  C   UNL     1       5.073   2.193   0.315  1.00  0.00           C  
HETATM   14  O   UNL     1       4.605  -2.372  -1.491  1.00  0.00           O  
HETATM   15  C   UNL     1       5.105   2.906  -1.012  1.00  0.00           C  
HETATM   16  O   UNL     1       6.251  -4.049  -0.569  1.00  0.00           O  
HETATM   17  C   UNL     1       4.374   2.470  -2.008  1.00  0.00           C  
HETATM   18  C   UNL     1       4.350   3.224  -3.312  1.00  0.00           C  
HETATM   19  C   UNL     1       3.557   1.213  -1.849  1.00  0.00           C  
HETATM   20  C   UNL     1       2.153   1.576  -1.359  1.00  0.00           C  
HETATM   21  C   UNL     1       1.336   0.320  -1.200  1.00  0.00           C  
HETATM   22  C   UNL     1       0.893  -0.027  -0.018  1.00  0.00           C  
HETATM   23  C   UNL     1       0.036  -1.258   0.134  1.00  0.00           C  
HETATM   24  C   UNL     1       1.239   0.804   1.191  1.00  0.00           C  
HETATM   25  C   UNL     1       0.157   1.863   1.409  1.00  0.00           C  
HETATM   26  C   UNL     1       0.503   2.694   2.618  1.00  0.00           C  
HETATM   27  C   UNL     1       0.732   3.977   2.487  1.00  0.00           C  
HETATM   28  C   UNL     1       0.992   4.824   3.705  1.00  0.00           C  
HETATM   29  C   UNL     1       0.736   4.606   1.117  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.660   5.146   0.800  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.656   5.774  -0.570  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.398   5.270  -1.524  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.482   5.963  -2.859  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.168   3.996  -1.286  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.593   4.336  -0.845  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.362   3.062  -0.607  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.501   2.860  -1.223  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.189   1.523  -1.115  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.225   1.573   0.010  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.913   0.237   0.118  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.844  -0.448   1.233  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.593  -1.748   1.366  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.661  -2.912   1.022  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.410  -4.212   1.156  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.545  -5.000   0.118  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.016  -4.572  -1.227  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.229  -6.334   0.269  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.015   0.066   2.382  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.122   3.964  -2.040  1.00  0.00           C  
HETATM   50  H   UNL     1       7.277  -1.510   0.565  1.00  0.00           H  
HETATM   51  H   UNL     1       6.031  -0.394  -0.042  1.00  0.00           H  
HETATM   52  H   UNL     1       6.393  -0.781   3.008  1.00  0.00           H  
HETATM   53  H   UNL     1       1.329  -6.583   0.056  1.00  0.00           H  
HETATM   54  H   UNL     1       7.541   1.968   3.605  1.00  0.00           H  
HETATM   55  H   UNL     1       6.039   2.803   3.143  1.00  0.00           H  
HETATM   56  H   UNL     1       5.964   1.291   4.079  1.00  0.00           H  
HETATM   57  H   UNL     1       1.112  -3.572  -0.868  1.00  0.00           H  
HETATM   58  H   UNL     1       7.135   2.627   0.764  1.00  0.00           H  
HETATM   59  H   UNL     1       6.875   1.078  -0.075  1.00  0.00           H  
HETATM   60  H   UNL     1       4.427   1.318   0.242  1.00  0.00           H  
HETATM   61  H   UNL     1       4.688   2.867   1.080  1.00  0.00           H  
HETATM   62  H   UNL     1       5.730   3.777  -1.142  1.00  0.00           H  
HETATM   63  H   UNL     1       6.547  -4.570   0.190  1.00  0.00           H  
HETATM   64  H   UNL     1       5.138   2.847  -3.964  1.00  0.00           H  
HETATM   65  H   UNL     1       3.382   3.085  -3.794  1.00  0.00           H  
HETATM   66  H   UNL     1       4.513   4.285  -3.122  1.00  0.00           H  
HETATM   67  H   UNL     1       3.486   0.702  -2.809  1.00  0.00           H  
HETATM   68  H   UNL     1       4.036   0.558  -1.122  1.00  0.00           H  
HETATM   69  H   UNL     1       2.224   2.088  -0.399  1.00  0.00           H  
HETATM   70  H   UNL     1       1.673   2.232  -2.086  1.00  0.00           H  
HETATM   71  H   UNL     1       1.117  -0.294  -2.061  1.00  0.00           H  
HETATM   72  H   UNL     1       0.672  -2.123   0.320  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.648  -1.123   0.972  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.536  -1.417  -0.780  1.00  0.00           H  
HETATM   75  H   UNL     1       1.300   0.160   2.069  1.00  0.00           H  
HETATM   76  H   UNL     1       2.200   1.293   1.032  1.00  0.00           H  
HETATM   77  H   UNL     1       0.096   2.506   0.531  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.804   1.374   1.568  1.00  0.00           H  
HETATM   79  H   UNL     1       0.563   2.231   3.592  1.00  0.00           H  
HETATM   80  H   UNL     1       2.062   4.840   3.915  1.00  0.00           H  
HETATM   81  H   UNL     1       0.643   5.840   3.523  1.00  0.00           H  
HETATM   82  H   UNL     1       0.461   4.405   4.560  1.00  0.00           H  
HETATM   83  H   UNL     1       1.456   5.424   1.095  1.00  0.00           H  
HETATM   84  H   UNL     1       1.013   3.858   0.375  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.380   4.327   0.822  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.938   5.894   1.543  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.042   6.641  -0.764  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.700   5.583  -3.516  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.457   5.772  -3.307  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.351   7.036  -2.721  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.202   3.415  -2.208  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.675   3.414  -0.508  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.559   4.917   0.077  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.085   4.918  -1.623  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.975   2.316   0.071  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.686   1.294  -2.057  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.451   0.752  -0.896  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.727   1.803   0.952  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.963   2.345  -0.209  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.464  -0.157  -0.724  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.949  -1.859   2.391  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.443  -1.750   0.684  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.305  -2.801  -0.002  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.811  -2.910   1.704  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.836  -4.495   2.107  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.965  -4.848  -1.308  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.583  -5.067  -2.015  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.117  -3.492  -1.330  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.298  -6.217   0.089  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.815  -7.039  -0.452  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.070  -6.713   1.279  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.612   0.751   2.983  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.691  -0.772   2.999  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.141   0.590   1.994  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.686   3.966  -3.039  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.197   3.800  -2.113  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.932   4.923  -1.558  1.00  0.00           H  
CONECT    1    4    2   50   51                                       
CONECT    2    1    3                                                 
CONECT    3    2   14   14    5                                       
CONECT    3   16                                                      
CONECT    4    1    7    7   52                                       
CONECT    5    3    6                                                 
CONECT    6    5   12   12   10                                       
CONECT    6    8                                                      
CONECT    7    4    4    9   11                                       
CONECT    8    6   53                                                 
CONECT    9    7   54   55   56                                       
CONECT   10    6   57                                                 
CONECT   11    7   13   58   59                                       
CONECT   12    6    6                                                 
CONECT   13   11   15   60   61                                       
CONECT   14    3    3                                                 
CONECT   15   13   17   17   62                                       
CONECT   16    3   63                                                 
CONECT   17   15   15   19   18                                       
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   29   28                                       
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   49                                       
CONECT   38   37   39   96   97                                       
CONECT   39   38   40   98   99                                       
CONECT   40   39   41   41  100                                       
CONECT   41   40   40   48   42                                       
CONECT   42   41   43  101  102                                       
CONECT   43   42   44  103  104                                       
CONECT   44   43   45   45  105                                       
CONECT   45   44   44   47   46                                       
CONECT   46   45  106  107  108                                       
CONECT   47   45  109  110  111                                       
CONECT   48   41  112  113  114                                       
CONECT   49   37  115  116  117                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    4                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
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   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   43                                                      
CONECT  104   43                                                      
CONECT  105   44                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   46                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
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
