COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.335   3.551  -0.727  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.303   2.727   0.440  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.248   1.879   0.568  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.262   1.845  -0.407  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.154   1.048   1.678  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.117   1.082   2.639  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.226   0.196   2.478  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.074   0.183   1.804  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.977  -0.632   2.889  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.840  -1.495   2.952  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.095   0.151   0.823  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.189   0.983  -0.278  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.120   0.949  -1.339  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.043  -0.455  -1.941  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.430  -0.877  -2.430  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.353  -2.282  -3.032  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.377  -2.279  -4.210  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.990  -1.856  -3.721  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.067  -0.452  -3.119  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.791   1.306  -0.725  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.058   0.431  -0.316  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.418   2.598  -0.629  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.326   3.673  -1.052  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.484   4.667   0.102  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.102   5.151   0.547  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.279   3.960   1.044  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.098   2.958  -0.094  1.00  0.00           C  
HETATM   28  C   UNL     1       0.592   1.723   0.425  1.00  0.00           C  
HETATM   29  O   UNL     1       0.120   1.112   1.360  1.00  0.00           O  
HETATM   30  N   UNL     1       1.735   1.298  -0.149  1.00  0.00           N  
HETATM   31  C   UNL     1       2.407   0.098   0.356  1.00  0.00           C  
HETATM   32  C   UNL     1       1.800  -1.124  -0.285  1.00  0.00           C  
HETATM   33  C   UNL     1       1.581  -2.261   0.468  1.00  0.00           C  
HETATM   34  C   UNL     1       1.459  -1.104  -1.624  1.00  0.00           C  
HETATM   35  C   UNL     1       0.901  -2.223  -2.215  1.00  0.00           C  
HETATM   36  C   UNL     1       0.684  -3.364  -1.468  1.00  0.00           C  
HETATM   37  C   UNL     1       1.022  -3.385  -0.122  1.00  0.00           C  
HETATM   38  O   UNL     1       0.806  -4.506   0.616  1.00  0.00           O  
HETATM   39  C   UNL     1       0.228  -5.625  -0.058  1.00  0.00           C  
HETATM   40  C   UNL     1       0.064  -6.766   0.913  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.464  -7.929   0.500  1.00  0.00           O  
HETATM   42  O   UNL     1       0.407  -6.634   2.064  1.00  0.00           O  
HETATM   43  C   UNL     1       3.897   0.166   0.016  1.00  0.00           C  
HETATM   44  C   UNL     1       4.538   1.334   0.767  1.00  0.00           C  
HETATM   45  C   UNL     1       6.006   1.401   0.432  1.00  0.00           C  
HETATM   46  C   UNL     1       6.921   0.701   1.197  1.00  0.00           C  
HETATM   47  C   UNL     1       6.435   2.157  -0.643  1.00  0.00           C  
HETATM   48  C   UNL     1       7.780   2.221  -0.955  1.00  0.00           C  
HETATM   49  C   UNL     1       8.703   1.527  -0.189  1.00  0.00           C  
HETATM   50  O   UNL     1      10.026   1.590  -0.494  1.00  0.00           O  
HETATM   51  C   UNL     1      10.396   2.390  -1.618  1.00  0.00           C  
HETATM   52  C   UNL     1       8.270   0.757   0.887  1.00  0.00           C  
HETATM   53  O   UNL     1       9.172   0.074   1.642  1.00  0.00           O  
HETATM   54  C   UNL     1       8.656  -0.695   2.730  1.00  0.00           C  
HETATM   55  H   UNL     1      -6.447   4.183  -0.751  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.357   2.921  -1.617  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.226   4.179  -0.705  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.333   2.493  -1.268  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.868  -0.834   2.458  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.918   0.324   3.311  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.738   0.421   1.542  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.929  -0.897   2.954  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.885  -2.089   3.865  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.838  -2.158   2.087  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.255  -0.521   0.920  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.363   1.668  -2.122  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.696  -1.157  -1.183  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.126  -0.880  -1.590  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.778  -0.176  -3.188  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.006  -2.984  -2.274  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.341  -2.583  -3.380  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.322  -3.279  -4.639  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.724  -1.577  -4.968  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.642  -2.558  -2.963  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.294  -1.854  -4.560  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.414   0.250  -3.877  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.079  -0.151  -2.771  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.908   4.183  -1.920  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.297   3.250  -1.309  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.078   5.519  -0.231  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.985   4.179   0.937  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.592   5.618  -0.296  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.213   5.877   1.352  1.00  0.00           H  
HETATM   84  H   UNL     1       0.697   4.306   1.383  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.803   3.481   1.871  1.00  0.00           H  
HETATM   86  H   UNL     1       0.501   3.408  -0.886  1.00  0.00           H  
HETATM   87  H   UNL     1       2.114   1.787  -0.896  1.00  0.00           H  
HETATM   88  H   UNL     1       2.283   0.040   1.438  1.00  0.00           H  
HETATM   89  H   UNL     1       1.844  -2.275   1.515  1.00  0.00           H  
HETATM   90  H   UNL     1       1.627  -0.212  -2.210  1.00  0.00           H  
HETATM   91  H   UNL     1       0.635  -2.204  -3.261  1.00  0.00           H  
HETATM   92  H   UNL     1       0.248  -4.238  -1.929  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.747  -5.345  -0.457  1.00  0.00           H  
HETATM   94  H   UNL     1       0.880  -5.934  -0.874  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.549  -8.631   1.158  1.00  0.00           H  
HETATM   96  H   UNL     1       4.380  -0.766   0.312  1.00  0.00           H  
HETATM   97  H   UNL     1       4.018   0.313  -1.057  1.00  0.00           H  
HETATM   98  H   UNL     1       4.056   2.266   0.470  1.00  0.00           H  
HETATM   99  H   UNL     1       4.417   1.187   1.840  1.00  0.00           H  
HETATM  100  H   UNL     1       6.584   0.112   2.036  1.00  0.00           H  
HETATM  101  H   UNL     1       5.717   2.699  -1.241  1.00  0.00           H  
HETATM  102  H   UNL     1       8.112   2.812  -1.796  1.00  0.00           H  
HETATM  103  H   UNL     1       9.907   2.007  -2.514  1.00  0.00           H  
HETATM  104  H   UNL     1      10.086   3.421  -1.447  1.00  0.00           H  
HETATM  105  H   UNL     1      11.477   2.353  -1.750  1.00  0.00           H  
HETATM  106  H   UNL     1       9.478  -1.188   3.248  1.00  0.00           H  
HETATM  107  H   UNL     1       8.131  -0.038   3.423  1.00  0.00           H  
HETATM  108  H   UNL     1       7.965  -1.447   2.348  1.00  0.00           H  
CONECT    1    2   55   56   57                                       
CONECT    2    1    3                                                 
CONECT    3    4    2    5    5                                       
CONECT    4   12   12    3   58                                       
CONECT    5    3    3    8    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   59   60   61                                       
CONECT    8   11   11    5    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   62   63   64                                       
CONECT   11   12    8    8   65                                       
CONECT   12   13    4    4   11                                       
CONECT   13   14   20   12   66                                       
CONECT   14   19   15   13   67                                       
CONECT   15   16   14   68   69                                       
CONECT   16   17   15   70   71                                       
CONECT   17   18   16   72   73                                       
CONECT   18   17   19   74   75                                       
CONECT   19   18   14   76   77                                       
CONECT   20   21   21   13   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   27   23                                            
CONECT   23   22   24   78   79                                       
CONECT   24   25   23   80   81                                       
CONECT   25   26   24   82   83                                       
CONECT   26   27   25   84   85                                       
CONECT   27   26   22   28   86                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   87                                            
CONECT   31   30   43   32   88                                       
CONECT   32   31   34   34   33                                       
CONECT   33   32   37   37   89                                       
CONECT   34   32   32   35   90                                       
CONECT   35   34   36   36   91                                       
CONECT   36   35   35   37   92                                       
CONECT   37   33   33   36   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   93   94                                       
CONECT   40   39   42   42   41                                       
CONECT   41   40   95                                                 
CONECT   42   40   40                                                 
CONECT   43   31   44   96   97                                       
CONECT   44   43   45   98   99                                       
CONECT   45   46   46   47   44                                       
CONECT   46   52   45   45  100                                       
CONECT   47   48   48   45  101                                       
CONECT   48   49   47   47  102                                       
CONECT   49   50   52   52   48                                       
CONECT   50   51   49                                                 
CONECT   51   50  103  104  105                                       
CONECT   52   53   49   49   46                                       
CONECT   53   54   52                                                 
CONECT   54   53  106  107  108                                       
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    4                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
CONECT  105   51                                                      
CONECT  106   54                                                      
CONECT  107   54                                                      
CONECT  108   54                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
