COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.143   0.282   1.213  1.00  0.00           C  
HETATM    2  C   UNL     1       4.116  -0.809   1.632  1.00  0.00           C  
HETATM    3  C   UNL     1       4.936  -1.049   0.346  1.00  0.00           C  
HETATM    4  O   UNL     1       4.899  -2.455  -0.014  1.00  0.00           O  
HETATM    5  C   UNL     1       4.284  -0.221  -0.732  1.00  0.00           C  
HETATM    6  O   UNL     1       6.914  -2.225  -0.920  1.00  0.00           O  
HETATM    7  C   UNL     1       3.279   0.467  -0.275  1.00  0.00           C  
HETATM    8  O   UNL     1       2.816   1.810  -2.306  1.00  0.00           O  
HETATM    9  C   UNL     1       2.274   1.256  -1.078  1.00  0.00           C  
HETATM   10  O   UNL     1       2.914   2.897   0.511  1.00  0.00           O  
HETATM   11  C   UNL     1       1.808   2.453  -0.278  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.253   1.262   0.013  1.00  0.00           O  
HETATM   13  C   UNL     1       0.664   2.193   0.647  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.909   2.210   1.129  1.00  0.00           O  
HETATM   15  C   UNL     1       1.118   1.612   1.962  1.00  0.00           C  
HETATM   16  O   UNL     1       1.820  -0.441   3.048  1.00  0.00           O  
HETATM   17  C   UNL     1       1.778   0.241   1.767  1.00  0.00           C  
HETATM   18  O   UNL     1       3.043   1.220   3.840  1.00  0.00           O  
HETATM   19  C   UNL     1       1.550   3.520  -1.349  1.00  0.00           C  
HETATM   20  O   UNL     1       0.154   3.817  -1.436  1.00  0.00           O  
HETATM   21  C   UNL     1       2.039   2.871  -2.636  1.00  0.00           C  
HETATM   22  O   UNL     1       1.779   3.237  -3.757  1.00  0.00           O  
HETATM   23  C   UNL     1       5.973  -2.949  -0.663  1.00  0.00           C  
HETATM   24  C   UNL     1       6.005  -4.364  -1.059  1.00  0.00           C  
HETATM   25  C   UNL     1       4.838  -5.263  -0.740  1.00  0.00           C  
HETATM   26  C   UNL     1       7.065  -4.852  -1.699  1.00  0.00           C  
HETATM   27  C   UNL     1       8.232  -3.953  -2.017  1.00  0.00           C  
HETATM   28  C   UNL     1       4.741  -0.193  -2.167  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.551   1.368   0.339  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.562   0.436  -0.279  1.00  0.00           C  
HETATM   31  C   UNL     1       0.893  -0.572   0.819  1.00  0.00           C  
HETATM   32  C   UNL     1       2.541   0.136   4.022  1.00  0.00           C  
HETATM   33  C   UNL     1       2.723  -0.567   5.342  1.00  0.00           C  
HETATM   34  C   UNL     1       2.349   4.790  -1.047  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.955   0.767   0.259  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.981  -0.179  -0.369  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.375   0.151   0.169  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.401  -0.794  -0.459  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.795  -0.464   0.079  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.821  -1.410  -0.549  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.215  -1.079  -0.011  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.241  -2.025  -0.639  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.635  -1.695  -0.101  1.00  0.00           C  
HETATM   44  C   UNL     1     -14.661  -2.640  -0.729  1.00  0.00           C  
HETATM   45  H   UNL     1       3.572   1.193   1.631  1.00  0.00           H  
HETATM   46  H   UNL     1       4.759  -0.463   2.441  1.00  0.00           H  
HETATM   47  H   UNL     1       3.580  -1.713   1.922  1.00  0.00           H  
HETATM   48  H   UNL     1       5.967  -0.728   0.494  1.00  0.00           H  
HETATM   49  H   UNL     1       1.415   0.626  -1.308  1.00  0.00           H  
HETATM   50  H   UNL     1       2.718   3.666   1.064  1.00  0.00           H  
HETATM   51  H   UNL     1       0.141   3.130   0.837  1.00  0.00           H  
HETATM   52  H   UNL     1       1.850   2.281   2.415  1.00  0.00           H  
HETATM   53  H   UNL     1       0.261   1.518   2.628  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.065   4.486  -2.098  1.00  0.00           H  
HETATM   55  H   UNL     1       4.124  -5.237  -1.564  1.00  0.00           H  
HETATM   56  H   UNL     1       5.193  -6.283  -0.599  1.00  0.00           H  
HETATM   57  H   UNL     1       4.352  -4.917   0.172  1.00  0.00           H  
HETATM   58  H   UNL     1       7.089  -5.892  -1.990  1.00  0.00           H  
HETATM   59  H   UNL     1       8.999  -4.525  -2.540  1.00  0.00           H  
HETATM   60  H   UNL     1       7.897  -3.133  -2.651  1.00  0.00           H  
HETATM   61  H   UNL     1       8.645  -3.552  -1.092  1.00  0.00           H  
HETATM   62  H   UNL     1       5.599  -0.854  -2.288  1.00  0.00           H  
HETATM   63  H   UNL     1       3.930  -0.527  -2.814  1.00  0.00           H  
HETATM   64  H   UNL     1       5.026   0.824  -2.438  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.552   0.557  -1.362  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.309  -0.593  -0.025  1.00  0.00           H  
HETATM   67  H   UNL     1       1.199  -1.617   0.844  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.147  -0.489   1.133  1.00  0.00           H  
HETATM   69  H   UNL     1       0.998  -0.186  -0.195  1.00  0.00           H  
HETATM   70  H   UNL     1       2.202  -1.524   5.319  1.00  0.00           H  
HETATM   71  H   UNL     1       3.785  -0.736   5.520  1.00  0.00           H  
HETATM   72  H   UNL     1       2.315   0.050   6.142  1.00  0.00           H  
HETATM   73  H   UNL     1       3.413   4.554  -1.033  1.00  0.00           H  
HETATM   74  H   UNL     1       2.152   5.535  -1.818  1.00  0.00           H  
HETATM   75  H   UNL     1       2.051   5.184  -0.076  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.965   0.646   1.342  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.208   1.796   0.006  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.972  -0.058  -1.452  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.729  -1.209  -0.116  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.385   0.031   1.252  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.628   1.181  -0.084  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.392  -0.674  -1.542  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.149  -1.824  -0.206  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.805  -0.585   1.162  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.048   0.566  -0.175  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.811  -1.289  -1.632  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.569  -2.440  -0.296  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.225  -1.200   1.072  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.467  -0.050  -0.264  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.231  -1.905  -1.722  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.989  -3.055  -0.386  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.644  -1.815   0.982  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.887  -0.665  -0.355  1.00  0.00           H  
HETATM   94  H   UNL     1     -15.654  -2.405  -0.346  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.651  -2.520  -1.812  1.00  0.00           H  
HETATM   96  H   UNL     1     -14.408  -3.670  -0.476  1.00  0.00           H  
CONECT    1    2    7   17   45                                       
CONECT    2    1    3   46   47                                       
CONECT    3    2    4    5   48                                       
CONECT    4    3   23                                                 
CONECT    5    3    7    7   28                                       
CONECT    6   23   23                                                 
CONECT    7    1    5    5    9                                       
CONECT    8    9   21                                                 
CONECT    9    7    8   11   49                                       
CONECT   10   11   50                                                 
CONECT   11    9   10   13   19                                       
CONECT   12   13   29                                                 
CONECT   13   11   12   15   51                                       
CONECT   14   29   29                                                 
CONECT   15   13   17   52   53                                       
CONECT   16   17   32                                                 
CONECT   17    1   15   16   31                                       
CONECT   18   32   32                                                 
CONECT   19   11   20   21   34                                       
CONECT   20   19   54                                                 
CONECT   21    8   19   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    4    6    6   24                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   55   56   57                                       
CONECT   26   24   24   27   58                                       
CONECT   27   26   59   60   61                                       
CONECT   28    5   62   63   64                                       
CONECT   29   12   14   14   30                                       
CONECT   30   29   35   65   66                                       
CONECT   31   17   67   68   69                                       
CONECT   32   16   18   18   33                                       
CONECT   33   32   70   71   72                                       
CONECT   34   19   73   74   75                                       
CONECT   35   30   36   76   77                                       
CONECT   36   35   37   78   79                                       
CONECT   37   36   38   80   81                                       
CONECT   38   37   39   82   83                                       
CONECT   39   38   40   84   85                                       
CONECT   40   39   41   86   87                                       
CONECT   41   40   42   88   89                                       
CONECT   42   41   43   90   91                                       
CONECT   43   42   44   92   93                                       
CONECT   44   43   94   95   96                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   20                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
