COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.721  -4.330  -0.522  1.00  0.00           C  
HETATM    2  C   UNL     1       3.047  -4.384   0.241  1.00  0.00           C  
HETATM    3  O   UNL     1       4.019  -3.587  -0.437  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.986   0.289  -1.116  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.510  -0.177  -2.406  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.437   0.779  -2.930  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.914  -1.578  -2.253  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.279   0.735  -2.055  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.753  -1.514  -1.423  1.00  0.00           O  
HETATM   10  O   UNL     1       0.052  -3.560  -2.662  1.00  0.00           O  
HETATM   11  P   UNL     1      -0.180  -3.014  -1.307  1.00  0.00           P  
HETATM   12  O   UNL     1       1.207  -2.997  -0.490  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.248  -3.937  -0.532  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.248   0.038  -0.735  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.988  -0.577  -1.466  1.00  0.00           O  
HETATM   16  C   UNL     1       0.792   1.498  -2.320  1.00  0.00           C  
HETATM   17  O   UNL     1       0.794   2.221  -3.288  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.742   0.522   0.604  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.202   0.106   0.790  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.704   0.597   2.149  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.164   0.182   2.335  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.658   0.666   3.674  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.761   1.369   3.750  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.625   1.549   2.529  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.058   1.121   2.851  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.936   1.304   1.611  1.00  0.00           C  
HETATM   27  C   UNL     1       1.994   1.452  -1.412  1.00  0.00           C  
HETATM   28  C   UNL     1       3.067   2.408  -1.936  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287   2.361  -1.014  1.00  0.00           C  
HETATM   30  C   UNL     1       5.359   3.318  -1.538  1.00  0.00           C  
HETATM   31  C   UNL     1       6.579   3.271  -0.616  1.00  0.00           C  
HETATM   32  C   UNL     1       7.652   4.228  -1.140  1.00  0.00           C  
HETATM   33  C   UNL     1       8.854   4.182  -0.232  1.00  0.00           C  
HETATM   34  C   UNL     1      10.038   3.914  -0.725  1.00  0.00           C  
HETATM   35  C   UNL     1      11.239   3.868   0.184  1.00  0.00           C  
HETATM   36  C   UNL     1      11.945   2.519   0.028  1.00  0.00           C  
HETATM   37  C   UNL     1     -14.369   0.875   1.932  1.00  0.00           C  
HETATM   38  C   UNL     1      13.164   2.473   0.951  1.00  0.00           C  
HETATM   39  C   UNL     1      13.870   1.124   0.795  1.00  0.00           C  
HETATM   40  C   UNL     1      15.090   1.077   1.717  1.00  0.00           C  
HETATM   41  C   UNL     1      15.795  -0.272   1.562  1.00  0.00           C  
HETATM   42  C   UNL     1      17.015  -0.318   2.484  1.00  0.00           C  
HETATM   43  C   UNL     1      17.721  -1.667   2.328  1.00  0.00           C  
HETATM   44  C   UNL     1      18.941  -1.714   3.251  1.00  0.00           C  
HETATM   45  C   UNL     1     -15.247   1.059   0.692  1.00  0.00           C  
HETATM   46  C   UNL     1     -16.680   0.630   1.014  1.00  0.00           C  
HETATM   47  C   UNL     1     -17.557   0.814  -0.226  1.00  0.00           C  
HETATM   48  C   UNL     1     -18.990   0.385   0.095  1.00  0.00           C  
HETATM   49  C   UNL     1     -19.868   0.568  -1.144  1.00  0.00           C  
HETATM   50  C   UNL     1       3.535  -5.832   0.313  1.00  0.00           C  
HETATM   51  O   UNL     1       4.710  -5.899   1.124  1.00  0.00           O  
HETATM   52  H   UNL     1       1.006  -5.007  -0.055  1.00  0.00           H  
HETATM   53  H   UNL     1       1.885  -4.631  -1.557  1.00  0.00           H  
HETATM   54  H   UNL     1       2.901  -3.999   1.250  1.00  0.00           H  
HETATM   55  H   UNL     1       4.118  -3.960  -1.324  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.342  -0.211  -3.109  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.835   1.794  -2.955  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.144   0.480  -3.936  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.651  -2.239  -1.797  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.638  -1.964  -3.235  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.370  -3.548   0.345  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.135   0.082   1.396  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.665   1.608   0.649  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.809   0.546  -0.002  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.279  -0.980   0.745  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.097   0.157   2.941  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.627   1.684   2.194  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.771   0.622   1.543  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.241  -0.905   2.290  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.103   0.433   4.570  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.051   1.818   4.688  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.618   2.598   2.231  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.237   0.937   1.715  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.066   0.072   3.149  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.447   1.733   3.665  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.929   2.352   1.312  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.547   0.692   0.797  1.00  0.00           H  
HETATM   78  H   UNL     1       2.392   0.437  -1.388  1.00  0.00           H  
HETATM   79  H   UNL     1       1.700   1.751  -0.406  1.00  0.00           H  
HETATM   80  H   UNL     1       2.669   3.423  -1.961  1.00  0.00           H  
HETATM   81  H   UNL     1       3.360   2.109  -2.942  1.00  0.00           H  
HETATM   82  H   UNL     1       4.685   1.347  -0.989  1.00  0.00           H  
HETATM   83  H   UNL     1       3.993   2.661  -0.008  1.00  0.00           H  
HETATM   84  H   UNL     1       4.961   4.332  -1.563  1.00  0.00           H  
HETATM   85  H   UNL     1       5.653   3.019  -2.544  1.00  0.00           H  
HETATM   86  H   UNL     1       6.978   2.257  -0.591  1.00  0.00           H  
HETATM   87  H   UNL     1       6.286   3.571   0.390  1.00  0.00           H  
HETATM   88  H   UNL     1       7.254   5.242  -1.165  1.00  0.00           H  
HETATM   89  H   UNL     1       7.946   3.928  -2.146  1.00  0.00           H  
HETATM   90  H   UNL     1       8.739   4.369   0.826  1.00  0.00           H  
HETATM   91  H   UNL     1      10.153   3.727  -1.782  1.00  0.00           H  
HETATM   92  H   UNL     1      10.918   3.993   1.218  1.00  0.00           H  
HETATM   93  H   UNL     1      11.927   4.671  -0.082  1.00  0.00           H  
HETATM   94  H   UNL     1      12.266   2.395  -1.006  1.00  0.00           H  
HETATM   95  H   UNL     1      11.257   1.717   0.294  1.00  0.00           H  
HETATM   96  H   UNL     1     -14.376  -0.173   2.230  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.758   1.487   2.746  1.00  0.00           H  
HETATM   98  H   UNL     1      12.843   2.597   1.985  1.00  0.00           H  
HETATM   99  H   UNL     1      13.852   3.275   0.684  1.00  0.00           H  
HETATM  100  H   UNL     1      14.191   0.999  -0.239  1.00  0.00           H  
HETATM  101  H   UNL     1      13.182   0.321   1.061  1.00  0.00           H  
HETATM  102  H   UNL     1      14.769   1.202   2.751  1.00  0.00           H  
HETATM  103  H   UNL     1      15.778   1.880   1.451  1.00  0.00           H  
HETATM  104  H   UNL     1      16.117  -0.396   0.527  1.00  0.00           H  
HETATM  105  H   UNL     1      15.108  -1.074   1.828  1.00  0.00           H  
HETATM  106  H   UNL     1      16.694  -0.194   3.518  1.00  0.00           H  
HETATM  107  H   UNL     1      17.703   0.484   2.218  1.00  0.00           H  
HETATM  108  H   UNL     1      18.042  -1.792   1.294  1.00  0.00           H  
HETATM  109  H   UNL     1      17.033  -2.470   2.594  1.00  0.00           H  
HETATM  110  H   UNL     1      18.619  -1.589   4.285  1.00  0.00           H  
HETATM  111  H   UNL     1      19.443  -2.675   3.140  1.00  0.00           H  
HETATM  112  H   UNL     1      19.628  -0.911   2.984  1.00  0.00           H  
HETATM  113  H   UNL     1     -15.239   2.107   0.394  1.00  0.00           H  
HETATM  114  H   UNL     1     -14.858   0.447  -0.122  1.00  0.00           H  
HETATM  115  H   UNL     1     -16.687  -0.418   1.312  1.00  0.00           H  
HETATM  116  H   UNL     1     -17.068   1.242   1.828  1.00  0.00           H  
HETATM  117  H   UNL     1     -17.550   1.862  -0.524  1.00  0.00           H  
HETATM  118  H   UNL     1     -17.169   0.201  -1.040  1.00  0.00           H  
HETATM  119  H   UNL     1     -18.997  -0.664   0.394  1.00  0.00           H  
HETATM  120  H   UNL     1     -19.379   0.997   0.909  1.00  0.00           H  
HETATM  121  H   UNL     1     -20.889   0.263  -0.915  1.00  0.00           H  
HETATM  122  H   UNL     1     -19.860   1.617  -1.443  1.00  0.00           H  
HETATM  123  H   UNL     1     -19.479  -0.044  -1.958  1.00  0.00           H  
HETATM  124  H   UNL     1       2.756  -6.457   0.751  1.00  0.00           H  
HETATM  125  H   UNL     1       3.766  -6.189  -0.691  1.00  0.00           H  
HETATM  126  H   UNL     1       4.984  -6.826   1.143  1.00  0.00           H  
CONECT    1    2   12   52   53                                       
CONECT    2    1    3   50   54                                       
CONECT    3    2   55                                                 
CONECT    4    5   14                                                 
CONECT    5    4    6    7   56                                       
CONECT    6    5    8   57   58                                       
CONECT    7    5    9   59   60                                       
CONECT    8    6   16                                                 
CONECT    9    7   11                                                 
CONECT   10   11   11                                                 
CONECT   11    9   10   10   12                                       
CONECT   11   13                                                      
CONECT   12    1   11                                                 
CONECT   13   11   61                                                 
CONECT   14    4   15   15   18                                       
CONECT   15   14   14                                                 
CONECT   16    8   17   17   27                                       
CONECT   17   16   16                                                 
CONECT   18   14   19   62   63                                       
CONECT   19   18   20   64   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   20   22   68   69                                       
CONECT   22   21   23   23   70                                       
CONECT   23   22   22   24   71                                       
CONECT   24   23   25   72   73                                       
CONECT   25   24   26   74   75                                       
CONECT   26   25   37   76   77                                       
CONECT   27   16   28   78   79                                       
CONECT   28   27   29   80   81                                       
CONECT   29   28   30   82   83                                       
CONECT   30   29   31   84   85                                       
CONECT   31   30   32   86   87                                       
CONECT   32   31   33   88   89                                       
CONECT   33   32   34   34   90                                       
CONECT   34   33   33   35   91                                       
CONECT   35   34   36   92   93                                       
CONECT   36   35   38   94   95                                       
CONECT   37   26   45   96   97                                       
CONECT   38   36   39   98   99                                       
CONECT   39   38   40  100  101                                       
CONECT   40   39   41  102  103                                       
CONECT   41   40   42  104  105                                       
CONECT   42   41   43  106  107                                       
CONECT   43   42   44  108  109                                       
CONECT   44   43  110  111  112                                       
CONECT   45   37   46  113  114                                       
CONECT   46   45   47  115  116                                       
CONECT   47   46   48  117  118                                       
CONECT   48   47   49  119  120                                       
CONECT   49   48  121  122  123                                       
CONECT   50    2   51  124  125                                       
CONECT   51   50  126                                                 
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61   13                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   43                                                      
CONECT  109   43                                                      
CONECT  110   44                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   50                                                      
CONECT  126   51                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
