COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.601   1.027   0.134  1.00  0.00           C  
HETATM    2  C   UNL     1      12.519   0.046  -0.321  1.00  0.00           C  
HETATM    3  C   UNL     1       7.599  -0.633  -0.871  1.00  0.00           C  
HETATM    4  C   UNL     1       5.139  -0.973  -1.146  1.00  0.00           C  
HETATM    5  C   UNL     1       3.761  -0.332  -0.965  1.00  0.00           C  
HETATM    6  C   UNL     1       2.679  -1.312  -1.421  1.00  0.00           C  
HETATM    7  C   UNL     1       1.301  -0.671  -1.240  1.00  0.00           C  
HETATM    8  C   UNL     1       0.219  -1.652  -1.696  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.158  -1.011  -1.515  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.225  -1.977  -1.964  1.00  0.00           C  
HETATM   11  C   UNL     1      24.819   1.744   1.053  1.00  0.00           C  
HETATM   12  C   UNL     1      23.441   2.385   1.234  1.00  0.00           C  
HETATM   13  C   UNL     1      22.359   1.405   0.778  1.00  0.00           C  
HETATM   14  C   UNL     1      20.981   2.046   0.959  1.00  0.00           C  
HETATM   15  C   UNL     1      19.899   1.065   0.503  1.00  0.00           C  
HETATM   16  C   UNL     1      18.521   1.706   0.684  1.00  0.00           C  
HETATM   17  C   UNL     1      17.439   0.725   0.228  1.00  0.00           C  
HETATM   18  C   UNL     1      16.061   1.366   0.409  1.00  0.00           C  
HETATM   19  C   UNL     1      14.979   0.386  -0.046  1.00  0.00           C  
HETATM   20  C   UNL     1      11.142   0.687  -0.141  1.00  0.00           C  
HETATM   21  C   UNL     1      10.059  -0.293  -0.596  1.00  0.00           C  
HETATM   22  C   UNL     1       8.682   0.348  -0.415  1.00  0.00           C  
HETATM   23  C   UNL     1       6.221   0.008  -0.690  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.491  -2.607  -2.345  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.721  -1.888  -2.902  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.482  -0.464  -2.161  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.219   0.320  -1.105  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.431   1.009  -1.735  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.179   1.806  -0.664  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.391   2.495  -1.294  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.138   3.292  -0.223  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.350   3.981  -0.853  1.00  0.00           C  
HETATM   33  C   UNL     1     -14.098   4.777   0.219  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.310   5.466  -0.411  1.00  0.00           C  
HETATM   35  C   UNL     1     -16.058   6.263   0.660  1.00  0.00           C  
HETATM   36  C   UNL     1     -17.270   6.952   0.030  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.908  -3.489  -1.166  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.718  -2.406   3.170  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.375  -1.110   3.648  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.252  -1.403   4.867  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.915  -3.066  -2.385  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.519  -1.627  -1.895  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.378  -1.155  -1.835  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.886  -0.471  -3.300  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.593  -2.695  -0.195  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.955  -3.813   2.098  1.00  0.00           O  
HETATM   47  O   UNL     1      -7.076  -4.432   0.878  1.00  0.00           O  
HETATM   48  O   UNL     1      -6.992  -2.156   1.964  1.00  0.00           O  
HETATM   49  O   UNL     1      -7.363  -0.166   4.005  1.00  0.00           O  
HETATM   50  O   UNL     1      -9.956  -0.217   5.242  1.00  0.00           O  
HETATM   51  P   UNL     1      -6.174  -3.299   1.179  1.00  0.00           P  
HETATM   52  H   UNL     1      13.543   1.936  -0.464  1.00  0.00           H  
HETATM   53  H   UNL     1      13.450   1.273   1.185  1.00  0.00           H  
HETATM   54  H   UNL     1      12.670  -0.200  -1.372  1.00  0.00           H  
HETATM   55  H   UNL     1      12.578  -0.863   0.277  1.00  0.00           H  
HETATM   56  H   UNL     1       7.750  -0.879  -1.922  1.00  0.00           H  
HETATM   57  H   UNL     1       7.658  -1.543  -0.273  1.00  0.00           H  
HETATM   58  H   UNL     1       5.198  -1.882  -0.548  1.00  0.00           H  
HETATM   59  H   UNL     1       5.290  -1.218  -2.197  1.00  0.00           H  
HETATM   60  H   UNL     1       3.610  -0.086   0.086  1.00  0.00           H  
HETATM   61  H   UNL     1       3.703   0.578  -1.563  1.00  0.00           H  
HETATM   62  H   UNL     1       2.830  -1.558  -2.472  1.00  0.00           H  
HETATM   63  H   UNL     1       2.738  -2.222  -0.823  1.00  0.00           H  
HETATM   64  H   UNL     1       1.150  -0.426  -0.189  1.00  0.00           H  
HETATM   65  H   UNL     1       1.243   0.238  -1.838  1.00  0.00           H  
HETATM   66  H   UNL     1       0.370  -1.898  -2.747  1.00  0.00           H  
HETATM   67  H   UNL     1       0.278  -2.561  -1.098  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.310  -0.765  -0.464  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.217  -0.101  -2.113  1.00  0.00           H  
HETATM   70  H   UNL     1      25.590   2.443   1.377  1.00  0.00           H  
HETATM   71  H   UNL     1      24.878   0.835   1.651  1.00  0.00           H  
HETATM   72  H   UNL     1      24.970   1.498   0.002  1.00  0.00           H  
HETATM   73  H   UNL     1      23.290   2.631   2.285  1.00  0.00           H  
HETATM   74  H   UNL     1      23.383   3.295   0.636  1.00  0.00           H  
HETATM   75  H   UNL     1      22.510   1.159  -0.273  1.00  0.00           H  
HETATM   76  H   UNL     1      22.418   0.495   1.376  1.00  0.00           H  
HETATM   77  H   UNL     1      20.830   2.291   2.010  1.00  0.00           H  
HETATM   78  H   UNL     1      20.923   2.955   0.361  1.00  0.00           H  
HETATM   79  H   UNL     1      20.050   0.819  -0.548  1.00  0.00           H  
HETATM   80  H   UNL     1      19.958   0.155   1.101  1.00  0.00           H  
HETATM   81  H   UNL     1      18.370   1.952   1.735  1.00  0.00           H  
HETATM   82  H   UNL     1      18.463   2.615   0.086  1.00  0.00           H  
HETATM   83  H   UNL     1      17.590   0.480  -0.823  1.00  0.00           H  
HETATM   84  H   UNL     1      17.498  -0.184   0.826  1.00  0.00           H  
HETATM   85  H   UNL     1      15.910   1.612   1.460  1.00  0.00           H  
HETATM   86  H   UNL     1      16.003   2.276  -0.189  1.00  0.00           H  
HETATM   87  H   UNL     1      15.038  -0.524   0.552  1.00  0.00           H  
HETATM   88  H   UNL     1      15.130   0.140  -1.097  1.00  0.00           H  
HETATM   89  H   UNL     1      10.990   0.933   0.910  1.00  0.00           H  
HETATM   90  H   UNL     1      11.083   1.597  -0.739  1.00  0.00           H  
HETATM   91  H   UNL     1      10.210  -0.539  -1.647  1.00  0.00           H  
HETATM   92  H   UNL     1      10.118  -1.203   0.002  1.00  0.00           H  
HETATM   93  H   UNL     1       8.623   1.257  -1.013  1.00  0.00           H  
HETATM   94  H   UNL     1       8.530   0.593   0.636  1.00  0.00           H  
HETATM   95  H   UNL     1       6.070   0.254   0.361  1.00  0.00           H  
HETATM   96  H   UNL     1       6.163   0.917  -1.288  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.049  -3.227  -3.124  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.412  -1.192  -3.683  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.412  -2.619  -3.320  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.553  -0.355  -0.318  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.553   1.072  -0.681  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.096   1.685  -2.523  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.096   0.258  -2.160  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.513   1.130   0.123  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.513   2.557  -0.240  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.056   3.170  -2.081  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.056   1.743  -1.718  1.00  0.00           H  
HETATM  108  H   UNL     1     -12.473   2.616   0.565  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.473   4.043   0.202  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.016   4.656  -1.640  1.00  0.00           H  
HETATM  111  H   UNL     1     -14.016   3.229  -1.277  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.432   4.102   1.006  1.00  0.00           H  
HETATM  113  H   UNL     1     -13.432   5.529   0.643  1.00  0.00           H  
HETATM  114  H   UNL     1     -14.975   6.142  -1.199  1.00  0.00           H  
HETATM  115  H   UNL     1     -15.976   4.715  -0.836  1.00  0.00           H  
HETATM  116  H   UNL     1     -16.392   5.587   1.448  1.00  0.00           H  
HETATM  117  H   UNL     1     -15.392   7.014   1.085  1.00  0.00           H  
HETATM  118  H   UNL     1     -16.935   7.627  -0.757  1.00  0.00           H  
HETATM  119  H   UNL     1     -17.935   6.200  -0.394  1.00  0.00           H  
HETATM  120  H   UNL     1     -17.802   7.519   0.794  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.569  -4.280  -1.520  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.021  -3.933  -0.713  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.034  -2.771   3.936  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.486  -3.156   2.982  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.990  -0.698   2.848  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.967  -2.187   4.619  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.625  -1.731   5.695  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.323  -3.121   2.335  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.777  -0.467   4.713  1.00  0.00           H  
HETATM  130  H   UNL     1     -10.534  -0.329   6.010  1.00  0.00           H  
CONECT    1   19    2   52   53                                       
CONECT    2    1   20   54   55                                       
CONECT    3   22   23   56   57                                       
CONECT    4   23    5   58   59                                       
CONECT    5    4    6   60   61                                       
CONECT    6    7    5   62   63                                       
CONECT    7    8    6   64   65                                       
CONECT    8    9    7   66   67                                       
CONECT    9   10    8   68   69                                       
CONECT   10   42   41   41    9                                       
CONECT   11   12   70   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   85   86                                       
CONECT   19   18    1   87   88                                       
CONECT   20    2   21   89   90                                       
CONECT   21   20   22   91   92                                       
CONECT   22   21    3   93   94                                       
CONECT   23    3    4   95   96                                       
CONECT   24   25   37   42   97                                       
CONECT   25   43   24   98   99                                       
CONECT   26   27   44   44   43                                       
CONECT   27   28   26  100  101                                       
CONECT   28   29   27  102  103                                       
CONECT   29   30   28  104  105                                       
CONECT   30   31   29  106  107                                       
CONECT   31   32   30  108  109                                       
CONECT   32   33   31  110  111                                       
CONECT   33   34   32  112  113                                       
CONECT   34   35   33  114  115                                       
CONECT   35   36   34  116  117                                       
CONECT   36   35  118  119  120                                       
CONECT   37   24   45  121  122                                       
CONECT   38   48   39  123  124                                       
CONECT   39   49   38   40  125                                       
CONECT   40   39   50  126  127                                       
CONECT   41   10   10                                                 
CONECT   42   24   10                                                 
CONECT   43   26   25                                                 
CONECT   44   26   26                                                 
CONECT   45   37   51                                                 
CONECT   46   51  128                                                 
CONECT   47   51   51                                                 
CONECT   48   51   38                                                 
CONECT   49   39  129                                                 
CONECT   50   40  130                                                 
CONECT   51   45   47   47   48                                       
CONECT   51   46                                                      
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70   11                                                      
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   18                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   20                                                      
CONECT   90   20                                                      
CONECT   91   21                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   22                                                      
CONECT   95   23                                                      
CONECT   96   23                                                      
CONECT   97   24                                                      
CONECT   98   25                                                      
CONECT   99   25                                                      
CONECT  100   27                                                      
CONECT  101   27                                                      
CONECT  102   28                                                      
CONECT  103   28                                                      
CONECT  104   29                                                      
CONECT  105   29                                                      
CONECT  106   30                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
CONECT  109   31                                                      
CONECT  110   32                                                      
CONECT  111   32                                                      
CONECT  112   33                                                      
CONECT  113   33                                                      
CONECT  114   34                                                      
CONECT  115   34                                                      
CONECT  116   35                                                      
CONECT  117   35                                                      
CONECT  118   36                                                      
CONECT  119   36                                                      
CONECT  120   36                                                      
CONECT  121   37                                                      
CONECT  122   37                                                      
CONECT  123   38                                                      
CONECT  124   38                                                      
CONECT  125   39                                                      
CONECT  126   40                                                      
CONECT  127   40                                                      
CONECT  128   46                                                      
CONECT  129   49                                                      
CONECT  130   50                                                      
MASTER        0    0    0    0    0    0    0    0  130    0  130    0
END
