COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.120  -1.589   2.859  1.00  0.00           C  
HETATM    2  C   UNL     1       8.292  -1.106   2.263  1.00  0.00           C  
HETATM    3  C   UNL     1       8.220  -0.414   1.039  1.00  0.00           C  
HETATM    4  C   UNL     1       6.989  -0.216   0.435  1.00  0.00           C  
HETATM    5  C   UNL     1       9.350   1.232  -0.242  1.00  0.00           C  
HETATM    6  C   UNL     1      10.553   1.689  -0.979  1.00  0.00           C  
HETATM    7  C   UNL     1      12.748   1.319  -1.600  1.00  0.00           C  
HETATM    8  C   UNL     1      12.764   2.533  -2.336  1.00  0.00           C  
HETATM    9  C   UNL     1      11.606   3.333  -2.365  1.00  0.00           C  
HETATM   10  C   UNL     1      10.505   2.901  -1.683  1.00  0.00           C  
HETATM   11  C   UNL     1       4.516  -0.491   0.397  1.00  0.00           C  
HETATM   12  C   UNL     1       3.315  -0.914   0.883  1.00  0.00           C  
HETATM   13  C   UNL     1       0.990  -0.738   0.087  1.00  0.00           C  
HETATM   14  C   UNL     1       0.144  -0.269  -0.909  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.217  -0.491  -0.817  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.735  -1.179   0.264  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.895  -1.646   1.258  1.00  0.00           C  
HETATM   18  C   UNL     1       0.466  -1.427   1.172  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.220  -1.419   0.361  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -2.743  -0.322  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.760  -1.979  -1.002  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.235  -2.287  -0.979  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.713  -3.530  -0.622  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.785  -4.650  -0.226  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.360  -4.334  -0.682  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.123  -1.280  -1.329  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.486  -1.515  -1.325  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.967  -2.772  -0.968  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.078  -3.772  -0.618  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.726  -4.326  -0.584  1.00  0.00           C  
HETATM   31  C   UNL     1      13.910   0.524  -1.567  1.00  0.00           C  
HETATM   32  C   UNL     1      15.023   0.928  -2.237  1.00  0.00           C  
HETATM   33  C   UNL     1      15.035   2.121  -2.959  1.00  0.00           C  
HETATM   34  C   UNL     1      13.932   2.916  -3.016  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.784   0.738  -2.025  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.903   1.719  -2.379  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.777   2.883  -1.442  1.00  0.00           C  
HETATM   38  C   UNL     1     -13.554   3.082  -0.139  1.00  0.00           C  
HETATM   39  C   UNL     1     -13.347   3.955   2.084  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.360   4.640   3.031  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.116   6.666   3.340  1.00  0.00           C  
HETATM   42  C   UNL     1       5.833  -0.702   1.042  1.00  0.00           C  
HETATM   43  C   UNL     1       5.912  -1.389   2.257  1.00  0.00           C  
HETATM   44  C   UNL     1       9.588  -1.321   2.910  1.00  0.00           C  
HETATM   45  C   UNL     1       9.653  -1.962   4.273  1.00  0.00           C  
HETATM   46  C   UNL     1      11.113  -2.069   4.717  1.00  0.00           C  
HETATM   47  N   UNL     1       9.378   0.069   0.439  1.00  0.00           N  
HETATM   48  N   UNL     1      11.644   0.948  -0.953  1.00  0.00           N  
HETATM   49  N   UNL     1       2.372  -0.519  -0.005  1.00  0.00           N  
HETATM   50  N   UNL     1       3.047   0.152  -1.035  1.00  0.00           N  
HETATM   51  N   UNL     1       4.306   0.143  -0.767  1.00  0.00           N  
HETATM   52  N   UNL     1      -5.015  -2.977  -0.228  1.00  0.00           N  
HETATM   53  O   UNL     1      10.610  -0.983   2.350  1.00  0.00           O  
HETATM   54  O   UNL     1       8.339   1.905  -0.253  1.00  0.00           O  
HETATM   55  O   UNL     1     -11.306  -3.014  -0.962  1.00  0.00           O  
HETATM   56  O   UNL     1     -10.351  -0.525  -1.669  1.00  0.00           O  
HETATM   57  O   UNL     1     -11.697   1.974  -1.219  1.00  0.00           O  
HETATM   58  O   UNL     1     -12.714   3.722   0.824  1.00  0.00           O  
HETATM   59  O   UNL     1     -12.036   5.937   2.525  1.00  0.00           O  
HETATM   60  H   UNL     1       7.172  -2.124   3.796  1.00  0.00           H  
HETATM   61  H   UNL     1       6.925   0.315  -0.503  1.00  0.00           H  
HETATM   62  H   UNL     1      11.588   4.261  -2.917  1.00  0.00           H  
HETATM   63  H   UNL     1       9.601   3.491  -1.686  1.00  0.00           H  
HETATM   64  H   UNL     1       3.148  -1.460   1.801  1.00  0.00           H  
HETATM   65  H   UNL     1       0.549   0.268  -1.753  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.875  -0.127  -1.592  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.303  -2.182   2.102  1.00  0.00           H  
HETATM   68  H   UNL     1       1.122  -1.793   1.948  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.514  -1.463   1.410  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.753  -0.605  -0.132  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.274  -2.699  -1.371  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.035  -3.557   0.170  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.407  -1.987  -2.034  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.801  -4.768   0.857  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.668  -5.053  -0.244  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.747  -0.306  -1.606  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.450  -4.748  -0.341  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.814  -4.385  -0.622  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.299  -5.057  -1.272  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.385  -4.539   0.429  1.00  0.00           H  
HETATM   81  H   UNL     1      13.917  -0.402  -1.012  1.00  0.00           H  
HETATM   82  H   UNL     1      15.911   0.315  -2.209  1.00  0.00           H  
HETATM   83  H   UNL     1      15.932   2.417  -3.482  1.00  0.00           H  
HETATM   84  H   UNL     1      13.955   3.837  -3.579  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.126   0.611  -2.885  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.211   1.128  -1.184  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.469   2.653  -2.735  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.530   1.288  -3.160  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.442   2.477  -2.204  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.381   3.842  -1.779  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.429   3.704  -0.329  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.874   2.113   0.245  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.662   3.004   2.513  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.217   4.595   1.940  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.812   4.738   4.018  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.452   4.042   3.105  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.542   6.806   4.333  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.182   6.109   3.420  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.922   7.638   2.888  1.00  0.00           H  
HETATM  100  H   UNL     1       5.012  -1.767   2.719  1.00  0.00           H  
HETATM  101  H   UNL     1       9.099  -1.354   4.987  1.00  0.00           H  
HETATM  102  H   UNL     1       9.213  -2.959   4.227  1.00  0.00           H  
HETATM  103  H   UNL     1      11.667  -2.678   4.003  1.00  0.00           H  
HETATM  104  H   UNL     1      11.553  -1.073   4.764  1.00  0.00           H  
HETATM  105  H   UNL     1      11.160  -2.533   5.703  1.00  0.00           H  
HETATM  106  H   UNL     1      10.207  -0.430   0.512  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.592  -0.992  -0.572  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.117  -5.577  -0.694  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.303  -4.385  -1.769  1.00  0.00           H  
CONECT    1    2    2   43   60                                       
CONECT    2    3   44    1    1                                       
CONECT    3   47    4    4    2                                       
CONECT    4    3    3   42   61                                       
CONECT    5    6   54   54   47                                       
CONECT    6   10   10   48    5                                       
CONECT    7    8   31   48   48                                       
CONECT    8   34    9    9    7                                       
CONECT    9    8    8   10   62                                       
CONECT   10    9    6    6   63                                       
CONECT   11   42   51   12   12                                       
CONECT   12   11   11   49   64                                       
CONECT   13   49   18   18   14                                       
CONECT   14   13   15   15   65                                       
CONECT   15   14   14   16   66                                       
CONECT   16   17   17   15   19                                       
CONECT   17   18   16   16   67                                       
CONECT   18   13   13   17   68                                       
CONECT   19   16   20   69   70                                       
CONECT   20   52   19   71   72                                       
CONECT   21   22   52   73  107                                       
CONECT   22   26   21   23   23                                       
CONECT   23   22   22   29   24                                       
CONECT   24   23   25   74  108                                       
CONECT   25   52   24   75  109                                       
CONECT   26   27   27   22   76                                       
CONECT   27   56   26   26   28                                       
CONECT   28   27   55   29   29                                       
CONECT   29   28   28   23   77                                       
CONECT   30   55   78   79   80                                       
CONECT   31   32   32    7   81                                       
CONECT   32   33   31   31   82                                       
CONECT   33   34   34   32   83                                       
CONECT   34   33   33    8   84                                       
CONECT   35   36   56   85   86                                       
CONECT   36   57   35   87   88                                       
CONECT   37   38   57   89   90                                       
CONECT   38   58   37   91   92                                       
CONECT   39   40   58   93   94                                       
CONECT   40   59   39   95   96                                       
CONECT   41   59   97   98   99                                       
CONECT   42    4   11   43   43                                       
CONECT   43   42   42    1  100                                       
CONECT   44   53   53    2   45                                       
CONECT   45   44   46  101  102                                       
CONECT   46   45  103  104  105                                       
CONECT   47    5    3  106                                            
CONECT   48    7    7    6                                            
CONECT   49   50   12   13                                            
CONECT   50   51   51   49                                            
CONECT   51   11   50   50                                            
CONECT   52   21   20   25                                            
CONECT   53   44   44                                                 
CONECT   54    5    5                                                 
CONECT   55   30   28                                                 
CONECT   56   35   27                                                 
CONECT   57   37   36                                                 
CONECT   58   39   38                                                 
CONECT   59   41   40                                                 
CONECT   60    1                                                      
CONECT   61    4                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   41                                                      
CONECT  100   43                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   21                                                      
CONECT  108   24                                                      
CONECT  109   25                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
