COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.060  -4.557  -0.819  1.00  0.00           C  
HETATM    2  C   UNL     1       7.207  -5.327  -0.025  1.00  0.00           C  
HETATM    3  C   UNL     1       5.869  -4.975   0.099  1.00  0.00           C  
HETATM    4  C   UNL     1       5.390  -3.854  -0.573  1.00  0.00           C  
HETATM    5  C   UNL     1       5.771  -1.941  -2.056  1.00  0.00           C  
HETATM    6  C   UNL     1       6.256  -0.058  -3.548  1.00  0.00           C  
HETATM    7  C   UNL     1       7.156   0.667  -4.324  1.00  0.00           C  
HETATM    8  C   UNL     1       8.480   0.254  -4.401  1.00  0.00           C  
HETATM    9  C   UNL     1       8.899  -0.881  -3.702  1.00  0.00           C  
HETATM   10  C   UNL     1       7.606  -3.431  -1.501  1.00  0.00           C  
HETATM   11  C   UNL     1       6.252  -3.081  -1.371  1.00  0.00           C  
HETATM   12  C   UNL     1       6.681  -1.199  -2.846  1.00  0.00           C  
HETATM   13  C   UNL     1       8.019  -1.623  -2.919  1.00  0.00           C  
HETATM   14  N   UNL     1       8.457  -2.712  -2.259  1.00  0.00           N  
HETATM   15  N   UNL     1       4.440  -1.558  -1.955  1.00  0.00           N  
HETATM   16  C   UNL     1      10.300  -1.272  -3.818  1.00  0.00           C  
HETATM   17  O   UNL     1      10.861  -1.874  -2.888  1.00  0.00           O  
HETATM   18  C   UNL     1       3.564  -1.972  -0.893  1.00  0.00           C  
HETATM   19  C   UNL     1       1.592  -1.353   0.550  1.00  0.00           C  
HETATM   20  C   UNL     1       2.526  -0.903  -0.574  1.00  0.00           C  
HETATM   21  C   UNL     1       0.574  -0.265   0.896  1.00  0.00           C  
HETATM   22  N   UNL     1      10.946  -0.957  -5.016  1.00  0.00           N  
HETATM   23  C   UNL     1      12.323  -1.298  -5.291  1.00  0.00           C  
HETATM   24  C   UNL     1      12.456  -2.662  -5.946  1.00  0.00           C  
HETATM   25  N   UNL     1      13.829  -3.007  -6.199  1.00  0.00           N  
HETATM   26  C   UNL     1      13.939  -4.320  -6.854  1.00  0.00           C  
HETATM   27  C   UNL     1      14.618  -3.010  -4.958  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.382  -0.727   1.998  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.379   0.373   2.367  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.354  -0.102   3.449  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.371   0.968   3.832  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.747   2.167   4.320  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.444   5.112   3.292  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.308   4.023   3.162  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.831   2.732   3.352  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.491   2.536   3.671  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.260   3.444   4.125  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.069   4.450   4.564  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.259   5.575   4.680  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.807   6.836   4.477  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.161   6.965   4.159  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.099   4.944   3.611  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.623   3.635   3.801  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.431   4.584   4.244  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.992   5.855   4.037  1.00  0.00           C  
HETATM   46  N   UNL     1      -4.294   6.017   3.729  1.00  0.00           N  
HETATM   47  C   UNL     1      -2.686   8.311   3.957  1.00  0.00           C  
HETATM   48  O   UNL     1      -2.177   9.278   4.547  1.00  0.00           O  
HETATM   49  N   UNL     1      -3.752   8.445   3.063  1.00  0.00           N  
HETATM   50  C   UNL     1      -4.365   9.713   2.740  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.518  10.047   3.672  1.00  0.00           C  
HETATM   52  N   UNL     1      -6.138  11.300   3.334  1.00  0.00           N  
HETATM   53  C   UNL     1      -5.172  12.408   3.392  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.273  11.592   4.222  1.00  0.00           C  
HETATM   55  H   UNL     1       9.105  -4.853  -0.900  1.00  0.00           H  
HETATM   56  H   UNL     1       7.591  -6.199   0.495  1.00  0.00           H  
HETATM   57  H   UNL     1       5.202  -5.570   0.715  1.00  0.00           H  
HETATM   58  H   UNL     1       4.339  -3.603  -0.457  1.00  0.00           H  
HETATM   59  H   UNL     1       5.227   0.290  -3.507  1.00  0.00           H  
HETATM   60  H   UNL     1       6.825   1.548  -4.865  1.00  0.00           H  
HETATM   61  H   UNL     1       9.181   0.822  -5.008  1.00  0.00           H  
HETATM   62  H   UNL     1       4.068  -0.948  -2.679  1.00  0.00           H  
HETATM   63  H   UNL     1       3.082  -2.902  -1.211  1.00  0.00           H  
HETATM   64  H   UNL     1       4.189  -2.186  -0.020  1.00  0.00           H  
HETATM   65  H   UNL     1       2.182  -1.601   1.441  1.00  0.00           H  
HETATM   66  H   UNL     1       1.065  -2.266   0.247  1.00  0.00           H  
HETATM   67  H   UNL     1       1.942  -0.677  -1.475  1.00  0.00           H  
HETATM   68  H   UNL     1       3.031   0.027  -0.287  1.00  0.00           H  
HETATM   69  H   UNL     1       1.100   0.640   1.223  1.00  0.00           H  
HETATM   70  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   71  H   UNL     1      10.420  -0.520  -5.766  1.00  0.00           H  
HETATM   72  H   UNL     1      12.735  -0.508  -5.927  1.00  0.00           H  
HETATM   73  H   UNL     1      12.854  -1.287  -4.334  1.00  0.00           H  
HETATM   74  H   UNL     1      12.045  -3.438  -5.292  1.00  0.00           H  
HETATM   75  H   UNL     1      11.926  -2.699  -6.903  1.00  0.00           H  
HETATM   76  H   UNL     1      14.975  -4.506  -7.150  1.00  0.00           H  
HETATM   77  H   UNL     1      13.308  -4.351  -7.747  1.00  0.00           H  
HETATM   78  H   UNL     1      13.620  -5.111  -6.171  1.00  0.00           H  
HETATM   79  H   UNL     1      15.328  -2.179  -4.962  1.00  0.00           H  
HETATM   80  H   UNL     1      15.174  -3.947  -4.866  1.00  0.00           H  
HETATM   81  H   UNL     1      13.960  -2.906  -4.091  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.926  -1.619   1.662  1.00  0.00           H  
HETATM   83  H   UNL     1       0.194  -1.015   2.886  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.835   1.255   2.726  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.933   0.676   1.471  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.786  -0.380   4.346  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.875  -1.003   3.104  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.056   0.607   4.605  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.964   1.250   2.956  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.878   2.083   4.842  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.841   6.114   3.139  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.352   4.186   2.913  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.499   1.882   3.252  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.146   1.515   3.813  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.612   3.477   4.728  1.00  0.00           H  
HETATM   96  H   UNL     1       0.792   5.469   4.928  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.172   7.714   4.569  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.087   7.629   2.561  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.581  10.476   2.784  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.724   9.642   1.708  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.293   9.278   3.607  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.182  10.116   4.712  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.454  12.324   2.572  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.628  12.386   4.340  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.691  13.367   3.308  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.871  12.410   3.811  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.914  11.883   5.213  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.909  10.709   4.326  1.00  0.00           H  
CONECT    1    2    2   10   55                                       
CONECT    2    1    1    3   56                                       
CONECT    3    2    4    4   57                                       
CONECT    4    3    3   11   58                                       
CONECT    5   11   11   12   15                                       
CONECT    6    7    7   12   59                                       
CONECT    7    6    6    8   60                                       
CONECT    8    7    9    9   61                                       
CONECT    9    8    8   13   16                                       
CONECT   10    1   11   14   14                                       
CONECT   11    4    5    5   10                                       
CONECT   12    5    6   13   13                                       
CONECT   13    9   12   12   14                                       
CONECT   14   10   10   13                                            
CONECT   15    5   18   62                                            
CONECT   16    9   17   17   22                                       
CONECT   17   16   16                                                 
CONECT   18   15   20   63   64                                       
CONECT   19   20   21   65   66                                       
CONECT   20   18   19   67   68                                       
CONECT   21   19   28   69   70                                       
CONECT   22   16   23   71                                            
CONECT   23   22   24   72   73                                       
CONECT   24   23   25   74   75                                       
CONECT   25   24   26   27                                            
CONECT   26   25   76   77   78                                       
CONECT   27   25   79   80   81                                       
CONECT   28   21   29   82   83                                       
CONECT   29   28   30   84   85                                       
CONECT   30   29   31   86   87                                       
CONECT   31   30   32   88   89                                       
CONECT   32   31   37   90                                            
CONECT   33   34   34   42   91                                       
CONECT   34   33   33   35   92                                       
CONECT   35   34   36   36   93                                       
CONECT   36   35   35   43   94                                       
CONECT   37   32   43   43   44                                       
CONECT   38   39   39   44   95                                       
CONECT   39   38   38   40   96                                       
CONECT   40   39   41   41   97                                       
CONECT   41   40   40   45   47                                       
CONECT   42   33   43   46   46                                       
CONECT   43   36   37   37   42                                       
CONECT   44   37   38   45   45                                       
CONECT   45   41   44   44   46                                       
CONECT   46   42   42   45                                            
CONECT   47   41   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50   98                                            
CONECT   50   49   51   99  100                                       
CONECT   51   50   52  101  102                                       
CONECT   52   51   53   54                                            
CONECT   53   52  103  104  105                                       
CONECT   54   52  106  107  108                                       
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62   15                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   53                                                      
CONECT  104   53                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   54                                                      
CONECT  108   54                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
