COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.486  -3.427  -0.235  1.00  0.00           O  
HETATM    2  P   UNL     1      -6.194  -2.022   0.494  1.00  0.00           P  
HETATM    3  O   UNL     1      -6.273  -2.202   1.961  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.721  -1.507   0.096  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.528  -2.199   0.468  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.311  -1.442  -0.069  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.330  -1.462  -1.497  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.725  -0.317  -2.103  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.031  -2.112   0.434  1.00  0.00           C  
HETATM   10  O   UNL     1       0.101  -1.339   0.030  1.00  0.00           O  
HETATM   11  C   UNL     1       1.355  -1.881   0.451  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.977  -0.034  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.287  -0.937   0.027  1.00  0.00           O  
HETATM   14  C   UNL     1      -8.679  -1.054   0.329  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.480  -1.113  -0.973  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.062  -2.244  -1.739  1.00  0.00           O  
HETATM   17  C   UNL     1     -10.970  -1.238  -0.649  1.00  0.00           C  
HETATM   18  O   UNL     1     -11.719  -1.293  -1.865  1.00  0.00           O  
HETATM   19  C   UNL     1      -9.126   0.158   1.149  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.616   0.032   1.473  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.418  -0.026   0.171  1.00  0.00           C  
HETATM   22  O   UNL     1     -12.810  -0.144   0.473  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.901   1.352   0.397  1.00  0.00           O  
HETATM   24  H   UNL     1      -6.451  -3.384  -1.201  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.467  -2.260   1.555  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.544  -3.204   0.048  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.342  -0.410   0.281  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.780  -0.408  -3.187  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.253   0.583  -1.786  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.681  -0.253  -1.796  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.058  -2.177   1.522  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.956  -3.114   0.012  1.00  0.00           H  
HETATM   33  H   UNL     1       1.378  -1.941   1.539  1.00  0.00           H  
HETATM   34  H   UNL     1       1.479  -2.879   0.030  1.00  0.00           H  
HETATM   35  H   UNL     1       2.467  -0.917  -1.122  1.00  0.00           H  
HETATM   36  H   UNL     1       2.365   0.020   0.387  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.851  -1.964   0.903  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.309  -0.202  -1.547  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.530  -2.345  -2.579  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.142  -2.149  -0.075  1.00  0.00           H  
HETATM   41  H   UNL     1     -12.674  -1.373  -1.736  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.555   0.200   2.077  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.788  -0.878   2.047  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.935   0.896   2.057  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.246   0.884  -0.403  1.00  0.00           H  
HETATM   46  H   UNL     1     -13.163   0.592   0.993  1.00  0.00           H  
HETATM   47  C   UNL     1      -8.625   2.501   1.200  1.00  0.00           C  
HETATM   48  C   UNL     1       3.832  -1.557   0.417  1.00  0.00           C  
HETATM   49  C   UNL     1       4.967  -0.653  -0.068  1.00  0.00           C  
HETATM   50  C   UNL     1       6.309  -1.233   0.382  1.00  0.00           C  
HETATM   51  C   UNL     1       7.444  -0.329  -0.103  1.00  0.00           C  
HETATM   52  C   UNL     1       8.786  -0.910   0.348  1.00  0.00           C  
HETATM   53  C   UNL     1       9.921  -0.006  -0.137  1.00  0.00           C  
HETATM   54  C   UNL     1      11.264  -0.586   0.313  1.00  0.00           C  
HETATM   55  C   UNL     1      12.399   0.318  -0.172  1.00  0.00           C  
HETATM   56  C   UNL     1      13.741  -0.262   0.279  1.00  0.00           C  
HETATM   57  C   UNL     1      14.876   0.642  -0.206  1.00  0.00           C  
HETATM   58  C   UNL     1      16.218   0.062   0.245  1.00  0.00           C  
HETATM   59  C   UNL     1      17.353   0.966  -0.241  1.00  0.00           C  
HETATM   60  C   UNL     1      18.695   0.386   0.210  1.00  0.00           C  
HETATM   61  C   UNL     1      19.830   1.290  -0.275  1.00  0.00           C  
HETATM   62  C   UNL     1      21.172   0.710   0.176  1.00  0.00           C  
HETATM   63  C   UNL     1      22.307   1.614  -0.310  1.00  0.00           C  
HETATM   64  H   UNL     1       3.855  -1.617   1.505  1.00  0.00           H  
HETATM   65  H   UNL     1       3.957  -2.555  -0.005  1.00  0.00           H  
HETATM   66  H   UNL     1       4.944  -0.594  -1.157  1.00  0.00           H  
HETATM   67  H   UNL     1       4.843   0.344   0.353  1.00  0.00           H  
HETATM   68  H   UNL     1       6.332  -1.293   1.470  1.00  0.00           H  
HETATM   69  H   UNL     1       6.434  -2.231  -0.039  1.00  0.00           H  
HETATM   70  H   UNL     1       7.421  -0.270  -1.191  1.00  0.00           H  
HETATM   71  H   UNL     1       7.320   0.668   0.318  1.00  0.00           H  
HETATM   72  H   UNL     1       8.809  -0.969   1.436  1.00  0.00           H  
HETATM   73  H   UNL     1       8.911  -1.907  -0.073  1.00  0.00           H  
HETATM   74  H   UNL     1       9.898   0.054  -1.225  1.00  0.00           H  
HETATM   75  H   UNL     1       9.797   0.992   0.284  1.00  0.00           H  
HETATM   76  H   UNL     1      11.286  -0.645   1.401  1.00  0.00           H  
HETATM   77  H   UNL     1      11.388  -1.583  -0.108  1.00  0.00           H  
HETATM   78  H   UNL     1      12.376   0.378  -1.260  1.00  0.00           H  
HETATM   79  H   UNL     1      12.274   1.316   0.250  1.00  0.00           H  
HETATM   80  H   UNL     1      13.764  -0.322   1.367  1.00  0.00           H  
HETATM   81  H   UNL     1      13.865  -1.259  -0.142  1.00  0.00           H  
HETATM   82  H   UNL     1      14.853   0.702  -1.294  1.00  0.00           H  
HETATM   83  H   UNL     1      14.751   1.640   0.215  1.00  0.00           H  
HETATM   84  H   UNL     1      16.241   0.002   1.333  1.00  0.00           H  
HETATM   85  H   UNL     1      16.342  -0.936  -0.177  1.00  0.00           H  
HETATM   86  H   UNL     1      17.330   1.026  -1.329  1.00  0.00           H  
HETATM   87  H   UNL     1      17.228   1.963   0.181  1.00  0.00           H  
HETATM   88  H   UNL     1      18.718   0.326   1.298  1.00  0.00           H  
HETATM   89  H   UNL     1      18.819  -0.612  -0.211  1.00  0.00           H  
HETATM   90  H   UNL     1      19.807   1.349  -1.363  1.00  0.00           H  
HETATM   91  H   UNL     1      19.705   2.287   0.146  1.00  0.00           H  
HETATM   92  C   UNL     1      -8.401   3.714   0.294  1.00  0.00           C  
HETATM   93  C   UNL     1      -8.229   4.968   1.154  1.00  0.00           C  
HETATM   94  C   UNL     1      -8.005   6.180   0.248  1.00  0.00           C  
HETATM   95  C   UNL     1      -6.747   5.963  -0.595  1.00  0.00           C  
HETATM   96  C   UNL     1      -6.919   4.709  -1.454  1.00  0.00           C  
HETATM   97  C   UNL     1      -7.143   3.496  -0.549  1.00  0.00           C  
HETATM   98  H   UNL     1      -9.468   2.693   1.862  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.729   2.322   1.794  1.00  0.00           H  
HETATM  100  H   UNL     1      21.195   0.650   1.264  1.00  0.00           H  
HETATM  101  H   UNL     1      21.297  -0.288  -0.246  1.00  0.00           H  
HETATM  102  H   UNL     1      22.284   1.673  -1.398  1.00  0.00           H  
HETATM  103  H   UNL     1      22.183   2.611   0.112  1.00  0.00           H  
HETATM  104  H   UNL     1      23.263   1.200   0.012  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.262   3.840  -0.363  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.125   5.122   1.754  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.369   4.842   1.811  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.866   6.306  -0.409  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.883   7.074   0.861  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.588   6.827  -1.240  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.887   5.837   0.063  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.780   4.835  -2.112  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.023   4.554  -2.055  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.283   3.371   0.109  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.266   2.603  -1.161  1.00  0.00           H  
CONECT    1   24    2                                                 
CONECT    2    1    3    3    4                                       
CONECT    2   13                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   25   26                                       
CONECT    6    5    7    9   27                                       
CONECT    7    6    8                                                 
CONECT    8    7   28   29   30                                       
CONECT    9    6   10   31   32                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   33   34                                       
CONECT   12   11   35   36   48                                       
CONECT   13   14    2                                                 
CONECT   14   13   37   15   19                                       
CONECT   15   16   14   38   17                                       
CONECT   16   15   39                                                 
CONECT   17   15   40   18   21                                       
CONECT   18   17   41                                                 
CONECT   19   14   42   20   23                                       
CONECT   20   19   43   44   21                                       
CONECT   21   17   20   45   22                                       
CONECT   22   21   46                                                 
CONECT   23   19   47                                                 
CONECT   24    1                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23   92   98   99                                       
CONECT   48   12   49   64   65                                       
CONECT   49   48   50   66   67                                       
CONECT   50   49   51   68   69                                       
CONECT   51   50   52   70   71                                       
CONECT   52   51   53   72   73                                       
CONECT   53   52   54   74   75                                       
CONECT   54   53   55   76   77                                       
CONECT   55   54   56   78   79                                       
CONECT   56   55   57   80   81                                       
CONECT   57   56   58   82   83                                       
CONECT   58   57   59   84   85                                       
CONECT   59   58   60   86   87                                       
CONECT   60   59   61   88   89                                       
CONECT   61   60   62   90   91                                       
CONECT   62   61   63  100  101                                       
CONECT   63   62  102  103  104                                       
CONECT   64   48                                                      
CONECT   65   48                                                      
CONECT   66   49                                                      
CONECT   67   49                                                      
CONECT   68   50                                                      
CONECT   69   50                                                      
CONECT   70   51                                                      
CONECT   71   51                                                      
CONECT   72   52                                                      
CONECT   73   52                                                      
CONECT   74   53                                                      
CONECT   75   53                                                      
CONECT   76   54                                                      
CONECT   77   54                                                      
CONECT   78   55                                                      
CONECT   79   55                                                      
CONECT   80   56                                                      
CONECT   81   56                                                      
CONECT   82   57                                                      
CONECT   83   57                                                      
CONECT   84   58                                                      
CONECT   85   58                                                      
CONECT   86   59                                                      
CONECT   87   59                                                      
CONECT   88   60                                                      
CONECT   89   60                                                      
CONECT   90   61                                                      
CONECT   91   61                                                      
CONECT   92   47   93   97  105                                       
CONECT   93   92   94  106  107                                       
CONECT   94   93   95  108  109                                       
CONECT   95   94   96  110  111                                       
CONECT   96   95   97  112  113                                       
CONECT   97   96   92  114  115                                       
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   62                                                      
CONECT  101   62                                                      
CONECT  102   63                                                      
CONECT  103   63                                                      
CONECT  104   63                                                      
CONECT  105   92                                                      
CONECT  106   93                                                      
CONECT  107   93                                                      
CONECT  108   94                                                      
CONECT  109   94                                                      
CONECT  110   95                                                      
CONECT  111   95                                                      
CONECT  112   96                                                      
CONECT  113   96                                                      
CONECT  114   97                                                      
CONECT  115   97                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
