COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.155  -0.282   0.137  1.00  0.00           C  
HETATM    2  O   UNL     1      11.750  -0.132   0.354  1.00  0.00           O  
HETATM    3  C   UNL     1      13.922   0.540   1.176  1.00  0.00           C  
HETATM    4  O   UNL     1      13.552   0.116   2.489  1.00  0.00           O  
HETATM    5  C   UNL     1      15.426   0.327   0.975  1.00  0.00           C  
HETATM    6  O   UNL     1      16.148   1.031   1.986  1.00  0.00           O  
HETATM    7  C   UNL     1      15.736  -1.170   1.073  1.00  0.00           C  
HETATM    8  O   UNL     1      17.124  -1.388   0.815  1.00  0.00           O  
HETATM    9  C   UNL     1      14.898  -1.926   0.038  1.00  0.00           C  
HETATM   10  O   UNL     1      13.512  -1.660   0.263  1.00  0.00           O  
HETATM   11  C   UNL     1      15.157  -3.428   0.170  1.00  0.00           C  
HETATM   12  O   UNL     1      14.466  -4.123  -0.870  1.00  0.00           O  
HETATM   13  C   UNL     1     -23.753  -3.132   0.193  1.00  0.00           C  
HETATM   14  C   UNL     1     -15.759   1.041   1.090  1.00  0.00           C  
HETATM   15  C   UNL     1       4.557   2.406   0.404  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.761   2.141   0.800  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.551   2.826   0.456  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.675   2.738   0.588  1.00  0.00           C  
HETATM   19  O   UNL     1      10.662  -1.703  -1.451  1.00  0.00           O  
HETATM   20  O   UNL     1      11.016   0.757  -1.891  1.00  0.00           O  
HETATM   21  C   UNL     1     -22.538  -2.636   0.980  1.00  0.00           C  
HETATM   22  C   UNL     1     -21.384  -2.357   0.015  1.00  0.00           C  
HETATM   23  C   UNL     1     -20.170  -1.860   0.802  1.00  0.00           C  
HETATM   24  C   UNL     1     -19.016  -1.581  -0.162  1.00  0.00           C  
HETATM   25  C   UNL     1     -17.802  -1.084   0.625  1.00  0.00           C  
HETATM   26  C   UNL     1       6.829   0.570  -0.206  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.997   0.227   0.306  1.00  0.00           C  
HETATM   28  C   UNL     1       1.882   1.227  -0.196  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.082   1.054   0.061  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.105   1.389  -0.107  1.00  0.00           C  
HETATM   31  C   UNL     1       8.043   0.237  -1.076  1.00  0.00           C  
HETATM   32  C   UNL     1     -16.648  -0.805  -0.340  1.00  0.00           C  
HETATM   33  C   UNL     1       5.586   0.688  -1.090  1.00  0.00           C  
HETATM   34  C   UNL     1     -14.242  -0.149  -0.500  1.00  0.00           C  
HETATM   35  C   UNL     1       3.109   1.017  -1.085  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.806   0.387  -0.641  1.00  0.00           C  
HETATM   37  C   UNL     1       0.620   1.222  -1.060  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.345   0.802  -0.763  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.877   1.303  -1.015  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.866   1.093  -0.867  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.374   1.260  -0.951  1.00  0.00           C  
HETATM   42  O   UNL     1       9.205   0.126  -0.250  1.00  0.00           O  
HETATM   43  C   UNL     1     -15.433  -0.309   0.447  1.00  0.00           C  
HETATM   44  C   UNL     1       4.372   1.021  -0.221  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.561   0.763   0.165  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.608   1.432  -0.171  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.602   1.345  -0.042  1.00  0.00           C  
HETATM   48  P   UNL     1      10.666  -0.216  -0.833  1.00  0.00           P  
HETATM   49  H   UNL     1      13.408   0.070  -0.863  1.00  0.00           H  
HETATM   50  H   UNL     1      13.684   1.596   1.054  1.00  0.00           H  
HETATM   51  H   UNL     1      12.610   0.218   2.684  1.00  0.00           H  
HETATM   52  H   UNL     1      15.719   0.697  -0.007  1.00  0.00           H  
HETATM   53  H   UNL     1      15.994   1.986   1.987  1.00  0.00           H  
HETATM   54  H   UNL     1      15.491  -1.528   2.073  1.00  0.00           H  
HETATM   55  H   UNL     1      17.715  -0.934   1.431  1.00  0.00           H  
HETATM   56  H   UNL     1      15.174  -1.596  -0.964  1.00  0.00           H  
HETATM   57  H   UNL     1      16.227  -3.621   0.088  1.00  0.00           H  
HETATM   58  H   UNL     1      14.799  -3.774   1.139  1.00  0.00           H  
HETATM   59  H   UNL     1      14.586  -5.083  -0.848  1.00  0.00           H  
HETATM   60  H   UNL     1     -24.056  -2.371  -0.526  1.00  0.00           H  
HETATM   61  H   UNL     1     -23.492  -4.049  -0.337  1.00  0.00           H  
HETATM   62  H   UNL     1     -24.575  -3.331   0.880  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.608   0.927   1.764  1.00  0.00           H  
HETATM   64  H   UNL     1     -14.894   1.395   1.651  1.00  0.00           H  
HETATM   65  H   UNL     1     -16.008   1.763   0.312  1.00  0.00           H  
HETATM   66  H   UNL     1       3.692   2.643   1.023  1.00  0.00           H  
HETATM   67  H   UNL     1       5.457   2.409   1.020  1.00  0.00           H  
HETATM   68  H   UNL     1       4.654   3.151  -0.385  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.627   2.113   1.461  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.874   2.408   1.374  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.925   2.882   0.017  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.426   2.976   1.089  1.00  0.00           H  
HETATM   73  H   UNL     1       0.353   2.918   1.057  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.541   3.579  -0.333  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.549   2.799   1.235  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.774   2.918   1.176  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.752   3.489  -0.198  1.00  0.00           H  
HETATM   78  H   UNL     1     -22.799  -1.719   1.510  1.00  0.00           H  
HETATM   79  H   UNL     1     -22.235  -3.397   1.699  1.00  0.00           H  
HETATM   80  H   UNL     1     -21.124  -3.273  -0.515  1.00  0.00           H  
HETATM   81  H   UNL     1     -21.688  -1.595  -0.703  1.00  0.00           H  
HETATM   82  H   UNL     1     -20.430  -0.944   1.332  1.00  0.00           H  
HETATM   83  H   UNL     1     -19.867  -2.622   1.521  1.00  0.00           H  
HETATM   84  H   UNL     1     -18.756  -2.497  -0.692  1.00  0.00           H  
HETATM   85  H   UNL     1     -19.319  -0.820  -0.881  1.00  0.00           H  
HETATM   86  H   UNL     1     -18.062  -0.168   1.155  1.00  0.00           H  
HETATM   87  H   UNL     1     -17.498  -1.846   1.343  1.00  0.00           H  
HETATM   88  H   UNL     1       6.679  -0.222   0.528  1.00  0.00           H  
HETATM   89  H   UNL     1       7.000   1.515   0.309  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.173   1.166   0.830  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.782  -0.558   1.030  1.00  0.00           H  
HETATM   92  H   UNL     1       1.823   0.423   0.538  1.00  0.00           H  
HETATM   93  H   UNL     1       1.966   2.183   0.319  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.172   2.008   0.581  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.957   0.254   0.790  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.072   0.582   0.625  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.108   2.348   0.410  1.00  0.00           H  
HETATM   98  H   UNL     1       7.873  -0.709  -1.591  1.00  0.00           H  
HETATM   99  H   UNL     1       8.193   1.029  -1.809  1.00  0.00           H  
HETATM  100  H   UNL     1     -16.387  -1.722  -0.870  1.00  0.00           H  
HETATM  101  H   UNL     1     -16.951  -0.044  -1.059  1.00  0.00           H  
HETATM  102  H   UNL     1       5.736   1.480  -1.824  1.00  0.00           H  
HETATM  103  H   UNL     1       5.416  -0.257  -1.606  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.457   0.637  -1.224  1.00  0.00           H  
HETATM  105  H   UNL     1     -14.066  -1.088  -1.024  1.00  0.00           H  
HETATM  106  H   UNL     1       3.026   0.060  -1.601  1.00  0.00           H  
HETATM  107  H   UNL     1       3.168   1.821  -1.819  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.630  -0.552  -1.165  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.021   1.173  -1.365  1.00  0.00           H  
HETATM  110  H   UNL     1       0.678   2.026  -1.794  1.00  0.00           H  
HETATM  111  H   UNL     1       0.536   0.265  -1.576  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.470   1.602  -1.492  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.255  -0.152  -1.283  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.874   0.344  -1.532  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.910   2.110  -1.747  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.776   0.139  -1.387  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.990   1.893  -1.596  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.407   2.067  -1.683  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.371   0.301  -1.468  1.00  0.00           H  
HETATM  120  H   UNL     1     -15.185  -1.031   1.225  1.00  0.00           H  
HETATM  121  H   UNL     1       4.275   0.276   0.568  1.00  0.00           H  
HETATM  122  H   UNL     1     -10.397   0.023   0.947  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.618   0.679   0.618  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.525   0.595   0.744  1.00  0.00           H  
HETATM  125  H   UNL     1      10.440  -2.394  -0.812  1.00  0.00           H  
CONECT    1    2    3   10   49                                       
CONECT    2    1   48                                                 
CONECT    3    1    4    5   50                                       
CONECT    4    3   51                                                 
CONECT    5    3    6    7   52                                       
CONECT    6    5   53                                                 
CONECT    7    5    8    9   54                                       
CONECT    8    7   55                                                 
CONECT    9    7   10   11   56                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   57   58                                       
CONECT   12   11   59                                                 
CONECT   13   21   60   61   62                                       
CONECT   14   43   63   64   65                                       
CONECT   15   44   66   67   68                                       
CONECT   16   45   69   70   71                                       
CONECT   17   46   72   73   74                                       
CONECT   18   47   75   76   77                                       
CONECT   19   48  125                                                 
CONECT   20   48   48                                                 
CONECT   21   13   22   78   79                                       
CONECT   22   21   23   80   81                                       
CONECT   23   22   24   82   83                                       
CONECT   24   23   25   84   85                                       
CONECT   25   24   32   86   87                                       
CONECT   26   31   33   88   89                                       
CONECT   27   34   36   90   91                                       
CONECT   28   35   37   92   93                                       
CONECT   29   38   40   94   95                                       
CONECT   30   39   41   96   97                                       
CONECT   31   26   42   98   99                                       
CONECT   32   25   43  100  101                                       
CONECT   33   26   44  102  103                                       
CONECT   34   27   43  104  105                                       
CONECT   35   28   44  106  107                                       
CONECT   36   27   45  108  109                                       
CONECT   37   28   46  110  111                                       
CONECT   38   29   45  112  113                                       
CONECT   39   30   46  114  115                                       
CONECT   40   29   47  116  117                                       
CONECT   41   30   47  118  119                                       
CONECT   42   31   48                                                 
CONECT   43   14   32   34  120                                       
CONECT   44   15   33   35  121                                       
CONECT   45   16   36   38  122                                       
CONECT   46   17   37   39  123                                       
CONECT   47   18   40   41  124                                       
CONECT   48    2   19   20   20                                       
CONECT   48   42                                                      
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   31                                                      
CONECT  100   32                                                      
CONECT  101   32                                                      
CONECT  102   33                                                      
CONECT  103   33                                                      
CONECT  104   34                                                      
CONECT  105   34                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   36                                                      
CONECT  109   36                                                      
CONECT  110   37                                                      
CONECT  111   37                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   40                                                      
CONECT  117   40                                                      
CONECT  118   41                                                      
CONECT  119   41                                                      
CONECT  120   43                                                      
CONECT  121   44                                                      
CONECT  122   45                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   19                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
