COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      21.254   5.739  -1.170  1.00  0.00           C  
HETATM    2  C   UNL     1      20.434   4.499  -0.812  1.00  0.00           C  
HETATM    3  C   UNL     1      18.943   4.840  -0.865  1.00  0.00           C  
HETATM    4  C   UNL     1      18.123   3.599  -0.507  1.00  0.00           C  
HETATM    5  C   UNL     1      16.632   3.941  -0.560  1.00  0.00           C  
HETATM    6  C   UNL     1      15.812   2.700  -0.202  1.00  0.00           C  
HETATM    7  C   UNL     1      14.321   3.042  -0.255  1.00  0.00           C  
HETATM    8  C   UNL     1      13.501   1.801   0.103  1.00  0.00           C  
HETATM    9  C   UNL     1      12.010   2.143   0.050  1.00  0.00           C  
HETATM   10  C   UNL     1      11.189   0.902   0.408  1.00  0.00           C  
HETATM   11  C   UNL     1       9.699   1.244   0.355  1.00  0.00           C  
HETATM   12  C   UNL     1       8.878   0.003   0.713  1.00  0.00           C  
HETATM   13  C   UNL     1       7.388   0.344   0.660  1.00  0.00           C  
HETATM   14  C   UNL     1       6.567  -0.896   1.018  1.00  0.00           C  
HETATM   15  C   UNL     1       5.077  -0.555   0.965  1.00  0.00           C  
HETATM   16  C   UNL     1       4.256  -1.795   1.323  1.00  0.00           C  
HETATM   17  C   UNL     1       2.766  -1.454   1.270  1.00  0.00           C  
HETATM   18  C   UNL     1       1.958  -2.676   1.623  1.00  0.00           C  
HETATM   19  O   UNL     1       2.516  -3.713   1.890  1.00  0.00           O  
HETATM   20  O   UNL     1       0.617  -2.612   1.641  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.162  -3.789   1.981  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.472  -4.580   0.708  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.316  -3.802  -0.143  1.00  0.00           O  
HETATM   24  P   UNL     1      -1.600  -4.691  -1.455  1.00  0.00           P  
HETATM   25  O   UNL     1      -0.314  -5.103  -2.060  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.444  -5.999  -1.044  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.440  -3.822  -2.519  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.558  -4.618  -3.700  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.350  -3.847  -4.758  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.592  -2.657  -5.166  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.471  -3.360   2.646  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.282  -2.626   1.691  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.482  -2.148   2.057  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.887  -2.329   3.180  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.323  -1.386   1.065  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.632  -0.957   1.731  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.486  -0.184   0.724  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.795   0.245   1.390  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.650   1.019   0.384  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.959   1.448   1.049  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.813   2.222   0.043  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.122   2.651   0.709  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.976   3.424  -0.298  1.00  0.00           C  
HETATM   44  C   UNL     1     -14.285   3.854   0.368  1.00  0.00           C  
HETATM   45  C   UNL     1     -15.140   4.627  -0.639  1.00  0.00           C  
HETATM   46  C   UNL     1     -16.449   5.056   0.027  1.00  0.00           C  
HETATM   47  C   UNL     1     -17.303   5.830  -0.979  1.00  0.00           C  
HETATM   48  C   UNL     1     -18.612   6.259  -0.314  1.00  0.00           C  
HETATM   49  C   UNL     1     -19.466   7.032  -1.320  1.00  0.00           C  
HETATM   50  H   UNL     1      20.993   6.070  -2.175  1.00  0.00           H  
HETATM   51  H   UNL     1      21.038   6.536  -0.458  1.00  0.00           H  
HETATM   52  H   UNL     1      22.316   5.496  -1.132  1.00  0.00           H  
HETATM   53  H   UNL     1      20.650   3.702  -1.524  1.00  0.00           H  
HETATM   54  H   UNL     1      20.695   4.168   0.194  1.00  0.00           H  
HETATM   55  H   UNL     1      18.727   5.637  -0.153  1.00  0.00           H  
HETATM   56  H   UNL     1      18.682   5.171  -1.870  1.00  0.00           H  
HETATM   57  H   UNL     1      18.339   2.803  -1.219  1.00  0.00           H  
HETATM   58  H   UNL     1      18.384   3.269   0.499  1.00  0.00           H  
HETATM   59  H   UNL     1      16.416   4.738   0.152  1.00  0.00           H  
HETATM   60  H   UNL     1      16.371   4.271  -1.565  1.00  0.00           H  
HETATM   61  H   UNL     1      16.028   1.904  -0.914  1.00  0.00           H  
HETATM   62  H   UNL     1      16.073   2.370   0.804  1.00  0.00           H  
HETATM   63  H   UNL     1      14.105   3.838   0.457  1.00  0.00           H  
HETATM   64  H   UNL     1      14.060   3.372  -1.260  1.00  0.00           H  
HETATM   65  H   UNL     1      13.716   1.005  -0.609  1.00  0.00           H  
HETATM   66  H   UNL     1      13.762   1.471   1.109  1.00  0.00           H  
HETATM   67  H   UNL     1      11.794   2.939   0.762  1.00  0.00           H  
HETATM   68  H   UNL     1      11.749   2.473  -0.955  1.00  0.00           H  
HETATM   69  H   UNL     1      11.405   0.105  -0.304  1.00  0.00           H  
HETATM   70  H   UNL     1      11.451   0.572   1.414  1.00  0.00           H  
HETATM   71  H   UNL     1       9.483   2.040   1.067  1.00  0.00           H  
HETATM   72  H   UNL     1       9.438   1.574  -0.650  1.00  0.00           H  
HETATM   73  H   UNL     1       9.094  -0.794   0.001  1.00  0.00           H  
HETATM   74  H   UNL     1       9.140  -0.328   1.719  1.00  0.00           H  
HETATM   75  H   UNL     1       7.172   1.141   1.372  1.00  0.00           H  
HETATM   76  H   UNL     1       7.127   0.675  -0.345  1.00  0.00           H  
HETATM   77  H   UNL     1       6.783  -1.693   0.306  1.00  0.00           H  
HETATM   78  H   UNL     1       6.829  -1.227   2.023  1.00  0.00           H  
HETATM   79  H   UNL     1       4.861   0.242   1.677  1.00  0.00           H  
HETATM   80  H   UNL     1       4.816  -0.224  -0.040  1.00  0.00           H  
HETATM   81  H   UNL     1       4.472  -2.592   0.611  1.00  0.00           H  
HETATM   82  H   UNL     1       4.518  -2.126   2.328  1.00  0.00           H  
HETATM   83  H   UNL     1       2.550  -0.657   1.982  1.00  0.00           H  
HETATM   84  H   UNL     1       2.505  -1.123   0.265  1.00  0.00           H  
HETATM   85  H   UNL     1       0.407  -4.415   2.668  1.00  0.00           H  
HETATM   86  H   UNL     1       0.457  -4.809   0.187  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.979  -5.508   0.972  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.272  -5.686  -0.655  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.564  -4.847  -4.085  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.077  -5.547  -3.462  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.516  -4.487  -5.625  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.310  -3.542  -4.342  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.150  -2.182  -5.860  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.552  -2.049  -4.361  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.015  -4.243   2.981  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.251  -2.722   3.502  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.779  -0.503   0.730  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.543  -2.024   0.209  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.176  -1.840   2.066  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.412  -0.319   2.587  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.943   0.700   0.389  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.706  -0.822  -0.132  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.339  -0.638   1.725  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.576   0.883   2.246  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.106   1.902   0.049  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.869   0.381  -0.472  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.503   0.565   1.384  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.739   2.086   1.905  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.269   3.105  -0.292  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.033   1.584  -0.813  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.666   1.768   1.044  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.902   3.289   1.565  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.432   4.308  -0.633  1.00  0.00           H  
HETATM  114  H   UNL     1     -13.196   2.786  -1.154  1.00  0.00           H  
HETATM  115  H   UNL     1     -14.829   2.970   0.703  1.00  0.00           H  
HETATM  116  H   UNL     1     -14.066   4.491   1.224  1.00  0.00           H  
HETATM  117  H   UNL     1     -14.596   5.510  -0.974  1.00  0.00           H  
HETATM  118  H   UNL     1     -15.359   3.989  -1.495  1.00  0.00           H  
HETATM  119  H   UNL     1     -16.992   4.173   0.362  1.00  0.00           H  
HETATM  120  H   UNL     1     -16.229   5.694   0.883  1.00  0.00           H  
HETATM  121  H   UNL     1     -16.759   6.713  -1.314  1.00  0.00           H  
HETATM  122  H   UNL     1     -17.523   5.192  -1.835  1.00  0.00           H  
HETATM  123  H   UNL     1     -19.156   5.376   0.021  1.00  0.00           H  
HETATM  124  H   UNL     1     -18.392   6.897   0.542  1.00  0.00           H  
HETATM  125  H   UNL     1     -18.922   7.916  -1.655  1.00  0.00           H  
HETATM  126  H   UNL     1     -19.686   6.395  -2.176  1.00  0.00           H  
HETATM  127  H   UNL     1     -20.399   7.338  -0.846  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    1    3   53   54                                       
CONECT    3    2    4   55   56                                       
CONECT    4    3    5   57   58                                       
CONECT    5    4    6   59   60                                       
CONECT    6    5    7   61   62                                       
CONECT    7    6    8   63   64                                       
CONECT    8    7    9   65   66                                       
CONECT    9    8   10   67   68                                       
CONECT   10    9   11   69   70                                       
CONECT   11   10   12   71   72                                       
CONECT   12   11   13   73   74                                       
CONECT   13   12   14   75   76                                       
CONECT   14   13   15   77   78                                       
CONECT   15   14   16   79   80                                       
CONECT   16   15   17   81   82                                       
CONECT   17   16   18   83   84                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   31   85                                       
CONECT   22   21   23   86   87                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   88                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   89   90                                       
CONECT   29   28   30   91   92                                       
CONECT   30   29   93   94                                            
CONECT   31   21   32   95   96                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   97   98                                       
CONECT   36   35   37   99  100                                       
CONECT   37   36   38  101  102                                       
CONECT   38   37   39  103  104                                       
CONECT   39   38   40  105  106                                       
CONECT   40   39   41  107  108                                       
CONECT   41   40   42  109  110                                       
CONECT   42   41   43  111  112                                       
CONECT   43   42   44  113  114                                       
CONECT   44   43   45  115  116                                       
CONECT   45   44   46  117  118                                       
CONECT   46   45   47  119  120                                       
CONECT   47   46   48  121  122                                       
CONECT   48   47   49  123  124                                       
CONECT   49   48  125  126  127                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   31                                                      
CONECT   96   31                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   41                                                      
CONECT  110   41                                                      
CONECT  111   42                                                      
CONECT  112   42                                                      
CONECT  113   43                                                      
CONECT  114   43                                                      
CONECT  115   44                                                      
CONECT  116   44                                                      
CONECT  117   45                                                      
CONECT  118   45                                                      
CONECT  119   46                                                      
CONECT  120   46                                                      
CONECT  121   47                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   49                                                      
CONECT  126   49                                                      
CONECT  127   49                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
