COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.085  -1.593   2.171  1.00  0.00           O  
HETATM    2  C   UNL     1       6.318  -1.782   0.997  1.00  0.00           C  
HETATM    3  C   UNL     1       6.571  -3.131   0.360  1.00  0.00           C  
HETATM    4  C   UNL     1       6.806  -2.791  -1.126  1.00  0.00           C  
HETATM    5  C   UNL     1       8.211  -3.213  -1.560  1.00  0.00           C  
HETATM    6  C   UNL     1       6.655  -1.286  -1.174  1.00  0.00           C  
HETATM    7  O   UNL     1       6.763  -0.601  -2.168  1.00  0.00           O  
HETATM    8  N   UNL     1       6.391  -0.831   0.057  1.00  0.00           N  
HETATM    9  C   UNL     1       6.202   0.524   0.338  1.00  0.00           C  
HETATM   10  C   UNL     1       7.282   1.320   0.690  1.00  0.00           C  
HETATM   11  C   UNL     1       7.093   2.660   0.967  1.00  0.00           C  
HETATM   12  C   UNL     1       5.828   3.220   0.889  1.00  0.00           C  
HETATM   13  C   UNL     1       4.745   2.446   0.535  1.00  0.00           C  
HETATM   14  C   UNL     1       4.921   1.089   0.252  1.00  0.00           C  
HETATM   15  C   UNL     1       3.766   0.255  -0.127  1.00  0.00           C  
HETATM   16  O   UNL     1       3.923  -0.925  -0.372  1.00  0.00           O  
HETATM   17  O   UNL     1       2.536   0.800  -0.202  1.00  0.00           O  
HETATM   18  C   UNL     1       1.399  -0.021  -0.576  1.00  0.00           C  
HETATM   19  C   UNL     1       0.131   0.837  -0.586  1.00  0.00           C  
HETATM   20  C   UNL     1       0.317   1.944  -1.615  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.858   2.914  -1.504  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.155   2.169  -1.749  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.241   3.051  -1.439  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.563   3.748  -2.645  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.330   0.885  -0.978  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.094  -0.037  -0.940  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.529   1.158   0.539  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.428   2.000   0.964  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.622   2.437   2.338  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.865   3.747   2.568  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.110   1.429   0.805  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.529   0.133  -1.527  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.862   0.867  -1.339  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.922  -0.237  -1.059  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.204  -0.182   0.452  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.099  -1.218   0.862  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.828  -0.715   1.983  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.916  -0.228   1.246  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.748  -1.218  -0.825  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.183  -1.575  -1.306  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.727  -2.669  -0.581  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.619  -3.349  -1.466  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.755  -1.035   0.685  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.755  -2.337   1.322  1.00  0.00           O  
HETATM   45  C   UNL     1      -2.465  -0.281   1.101  1.00  0.00           C  
HETATM   46  O   UNL     1      -2.271  -0.337   2.523  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.269  -0.900   0.344  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.455  -2.277   0.047  1.00  0.00           O  
HETATM   49  C   UNL     1      -0.898  -3.013   1.137  1.00  0.00           C  
HETATM   50  H   UNL     1       7.456  -3.599   0.791  1.00  0.00           H  
HETATM   51  H   UNL     1       5.701  -3.778   0.472  1.00  0.00           H  
HETATM   52  H   UNL     1       6.053  -3.269  -1.753  1.00  0.00           H  
HETATM   53  H   UNL     1       8.326  -4.288  -1.421  1.00  0.00           H  
HETATM   54  H   UNL     1       8.357  -2.965  -2.611  1.00  0.00           H  
HETATM   55  H   UNL     1       8.951  -2.688  -0.956  1.00  0.00           H  
HETATM   56  H   UNL     1       8.271   0.891   0.752  1.00  0.00           H  
HETATM   57  H   UNL     1       7.936   3.274   1.245  1.00  0.00           H  
HETATM   58  H   UNL     1       5.691   4.269   1.107  1.00  0.00           H  
HETATM   59  H   UNL     1       3.761   2.888   0.475  1.00  0.00           H  
HETATM   60  H   UNL     1       1.284  -0.832   0.144  1.00  0.00           H  
HETATM   61  H   UNL     1       1.563  -0.439  -1.569  1.00  0.00           H  
HETATM   62  H   UNL     1       1.252   2.468  -1.419  1.00  0.00           H  
HETATM   63  H   UNL     1       0.343   1.508  -2.613  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.867   3.385  -0.523  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.744   3.698  -2.262  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.218   1.931  -2.819  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.389   4.435  -2.457  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.693   4.309  -2.984  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.854   3.031  -3.412  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.959  -0.622  -1.850  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.480   1.652   0.720  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.243   1.675   3.019  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.684   2.594   2.523  1.00  0.00           H  
HETATM   74  H   UNL     1       0.198   3.590   2.383  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.243   4.509   1.887  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.010   4.075   3.597  1.00  0.00           H  
HETATM   77  H   UNL     1       0.633   2.230   0.957  1.00  0.00           H  
HETATM   78  H   UNL     1       0.080   0.683   1.573  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.375  -0.042  -2.595  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.812   1.556  -0.500  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.122   1.405  -2.252  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.821  -0.119  -1.677  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.709   0.783   0.673  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.528  -1.475   2.333  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.134  -0.464   2.785  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.380   0.177   1.687  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.603   0.787   1.486  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.165  -0.677   2.232  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.044  -1.976  -1.177  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.165  -1.808  -2.380  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.063  -4.201  -0.951  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.406  -2.666  -1.784  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.067  -3.700  -2.339  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.604  -2.750   1.112  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.211  -1.272   2.761  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.386  -0.825   0.992  1.00  0.00           H  
HETATM   97  H   UNL     1       0.162  -2.778   1.231  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.412  -2.743   2.059  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.018  -4.081   0.954  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4   50   51                                       
CONECT    4    3    5    6   52                                       
CONECT    5    4   53   54   55                                       
CONECT    6    4    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    2    6    9                                            
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   56                                       
CONECT   11   10   12   12   57                                       
CONECT   12   11   11   13   58                                       
CONECT   13   12   14   14   59                                       
CONECT   14    9   13   13   15                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   26   31                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   23   25   66                                       
CONECT   23   22   24                                                 
CONECT   24   23   67   68   69                                       
CONECT   25   22   26   27   32                                       
CONECT   26   19   25   47   70                                       
CONECT   27   25   28   45   71                                       
CONECT   28   27   29   31                                            
CONECT   29   28   30   72   73                                       
CONECT   30   29   74   75   76                                       
CONECT   31   19   28   77   78                                       
CONECT   32   25   33   39   79                                       
CONECT   33   32   34   80   81                                       
CONECT   34   33   35   40   82                                       
CONECT   35   34   36   38   83                                       
CONECT   36   35   37                                                 
CONECT   37   36   84   85   86                                       
CONECT   38   35   43   87   88                                       
CONECT   39   32   40   43   89                                       
CONECT   40   34   39   41   90                                       
CONECT   41   40   42                                                 
CONECT   42   41   91   92   93                                       
CONECT   43   38   39   44   45                                       
CONECT   44   43   94                                                 
CONECT   45   27   43   46   47                                       
CONECT   46   45   95                                                 
CONECT   47   26   45   48   96                                       
CONECT   48   47   49                                                 
CONECT   49   48   97   98   99                                       
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   44                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
