COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.578  -4.008   0.132  1.00  0.00           O  
HETATM    2  C   UNL     1      10.793  -2.670   0.228  1.00  0.00           C  
HETATM    3  C   UNL     1       9.729  -1.786   0.126  1.00  0.00           C  
HETATM    4  C   UNL     1      12.077  -2.186   0.434  1.00  0.00           C  
HETATM    5  C   UNL     1      12.294  -0.825   0.531  1.00  0.00           C  
HETATM    6  C   UNL     1      11.232   0.054   0.424  1.00  0.00           C  
HETATM    7  C   UNL     1       9.951  -0.426   0.224  1.00  0.00           C  
HETATM    8  C   UNL     1       8.796   0.535   0.112  1.00  0.00           C  
HETATM    9  C   UNL     1       9.033   1.452  -1.089  1.00  0.00           C  
HETATM   10  C   UNL     1       8.892   0.646  -2.382  1.00  0.00           C  
HETATM   11  C   UNL     1       7.504  -0.268  -0.124  1.00  0.00           C  
HETATM   12  C   UNL     1       8.742   1.376   1.360  1.00  0.00           C  
HETATM   13  C   UNL     1       8.217   2.782   0.993  1.00  0.00           C  
HETATM   14  C   UNL     1       6.771   2.783   0.799  1.00  0.00           C  
HETATM   15  C   UNL     1       6.327   1.865  -0.355  1.00  0.00           C  
HETATM   16  N   UNL     1       6.274   0.510   0.141  1.00  0.00           N  
HETATM   17  C   UNL     1       5.088  -0.191  -0.368  1.00  0.00           C  
HETATM   18  C   UNL     1       3.825   0.510   0.138  1.00  0.00           C  
HETATM   19  C   UNL     1       2.589  -0.220  -0.393  1.00  0.00           C  
HETATM   20  C   UNL     1       1.327   0.481   0.113  1.00  0.00           C  
HETATM   21  C   UNL     1       0.091  -0.249  -0.417  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.171   0.451   0.089  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.407  -0.278  -0.442  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.670   0.422   0.064  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.905  -0.308  -0.466  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.117   0.365   0.019  1.00  0.00           N  
HETATM   27  H   UNL     1      10.636  -4.352  -0.770  1.00  0.00           H  
HETATM   28  H   UNL     1       8.729  -2.160  -0.031  1.00  0.00           H  
HETATM   29  H   UNL     1      12.906  -2.873   0.519  1.00  0.00           H  
HETATM   30  H   UNL     1      13.293  -0.448   0.692  1.00  0.00           H  
HETATM   31  H   UNL     1      11.404   1.118   0.500  1.00  0.00           H  
HETATM   32  H   UNL     1       8.299   2.258  -1.082  1.00  0.00           H  
HETATM   33  H   UNL     1      10.036   1.874  -1.032  1.00  0.00           H  
HETATM   34  H   UNL     1       9.483  -0.267  -2.307  1.00  0.00           H  
HETATM   35  H   UNL     1       7.844   0.389  -2.538  1.00  0.00           H  
HETATM   36  H   UNL     1       9.249   1.241  -3.222  1.00  0.00           H  
HETATM   37  H   UNL     1       7.487  -0.606  -1.160  1.00  0.00           H  
HETATM   38  H   UNL     1       7.512  -1.142   0.526  1.00  0.00           H  
HETATM   39  H   UNL     1       8.071   0.912   2.083  1.00  0.00           H  
HETATM   40  H   UNL     1       9.741   1.459   1.788  1.00  0.00           H  
HETATM   41  H   UNL     1       8.468   3.476   1.796  1.00  0.00           H  
HETATM   42  H   UNL     1       8.700   3.113   0.074  1.00  0.00           H  
HETATM   43  H   UNL     1       6.292   2.449   1.719  1.00  0.00           H  
HETATM   44  H   UNL     1       6.446   3.801   0.584  1.00  0.00           H  
HETATM   45  H   UNL     1       5.341   2.167  -0.706  1.00  0.00           H  
HETATM   46  H   UNL     1       7.045   1.930  -1.173  1.00  0.00           H  
HETATM   47  H   UNL     1       5.098  -0.178  -1.458  1.00  0.00           H  
HETATM   48  H   UNL     1       5.096  -1.222  -0.016  1.00  0.00           H  
HETATM   49  H   UNL     1       3.815   0.498   1.228  1.00  0.00           H  
HETATM   50  H   UNL     1       3.816   1.542  -0.214  1.00  0.00           H  
HETATM   51  H   UNL     1       2.600  -0.207  -1.482  1.00  0.00           H  
HETATM   52  H   UNL     1       2.598  -1.252  -0.041  1.00  0.00           H  
HETATM   53  H   UNL     1       1.316   0.468   1.203  1.00  0.00           H  
HETATM   54  H   UNL     1       1.318   1.513  -0.238  1.00  0.00           H  
HETATM   55  H   UNL     1       0.102  -0.237  -1.507  1.00  0.00           H  
HETATM   56  H   UNL     1       0.100  -1.281  -0.065  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.182   0.439   1.179  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.180   1.483  -0.263  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.396  -0.266  -1.532  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.398  -1.310  -0.090  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.680   0.410   1.154  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.678   1.454  -0.287  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.894  -0.295  -1.556  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.896  -1.339  -0.115  1.00  0.00           H  
HETATM   65  C   UNL     1      -6.234   1.689  -0.542  1.00  0.00           C  
HETATM   66  C   UNL     1      -8.154   2.590   0.775  1.00  0.00           C  
HETATM   67  C   UNL     1      -7.314  -0.478  -0.196  1.00  0.00           C  
HETATM   68  C   UNL     1      -8.638   0.278   0.013  1.00  0.00           C  
HETATM   69  C   UNL     1      -8.613   1.182   1.217  1.00  0.00           C  
HETATM   70  C   UNL     1      -9.472  -2.079   0.123  1.00  0.00           C  
HETATM   71  C   UNL     1      -9.749  -0.726   0.183  1.00  0.00           C  
HETATM   72  C   UNL     1     -11.043  -0.293   0.400  1.00  0.00           C  
HETATM   73  C   UNL     1     -12.065  -1.218   0.556  1.00  0.00           C  
HETATM   74  C   UNL     1     -11.785  -2.576   0.495  1.00  0.00           C  
HETATM   75  C   UNL     1     -10.489  -3.003   0.278  1.00  0.00           C  
HETATM   76  C   UNL     1      -8.926   1.121  -1.231  1.00  0.00           C  
HETATM   77  O   UNL     1     -13.339  -0.795   0.770  1.00  0.00           O  
HETATM   78  C   UNL     1      -8.754   0.258  -2.482  1.00  0.00           C  
HETATM   79  C   UNL     1      -6.711   2.645   0.568  1.00  0.00           C  
HETATM   80  H   UNL     1      -5.264   2.016  -0.916  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.958   1.681  -1.356  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.657   2.852  -0.156  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.431   3.312   1.543  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.290  -0.866  -1.214  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.278  -1.319   0.497  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.918   0.787   1.957  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.613   1.243   1.648  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.460  -2.415  -0.051  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.259   0.764   0.448  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.579  -3.297   0.616  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.271  -4.059   0.229  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.948   1.497  -1.186  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.231   1.960  -1.270  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.850  -0.662  -0.040  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.118   0.804  -3.353  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.699   0.020  -2.617  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.323  -0.664  -2.369  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.211   2.380   1.499  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.432   3.664   0.298  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2    7   28                                       
CONECT    4    2    5    5   29                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    7    7   31                                       
CONECT    7    3    6    6    8                                       
CONECT    8    7    9   11   12                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   34   35   36                                       
CONECT   11    8   16   37   38                                       
CONECT   12    8   13   39   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   11   15   17                                            
CONECT   17   16   18   47   48                                       
CONECT   18   17   19   49   50                                       
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   61   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   25   65   67                                            
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26   79   80   81                                       
CONECT   66   69   79   82   83                                       
CONECT   67   26   68   84   85                                       
CONECT   68   67   69   71   76                                       
CONECT   69   66   68   86   87                                       
CONECT   70   71   75   75   88                                       
CONECT   71   70   72   72   68                                       
CONECT   72   71   71   73   89                                       
CONECT   73   72   74   74   77                                       
CONECT   74   73   73   75   90                                       
CONECT   75   74   70   70   91                                       
CONECT   76   68   78   92   93                                       
CONECT   77   73   94                                                 
CONECT   78   76   95   96   97                                       
CONECT   79   65   66   98   99                                       
CONECT   80   65                                                      
CONECT   81   65                                                      
CONECT   82   66                                                      
CONECT   83   66                                                      
CONECT   84   67                                                      
CONECT   85   67                                                      
CONECT   86   69                                                      
CONECT   87   69                                                      
CONECT   88   70                                                      
CONECT   89   72                                                      
CONECT   90   74                                                      
CONECT   91   75                                                      
CONECT   92   76                                                      
CONECT   93   76                                                      
CONECT   94   77                                                      
CONECT   95   78                                                      
CONECT   96   78                                                      
CONECT   97   78                                                      
CONECT   98   79                                                      
CONECT   99   79                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
