COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.557   4.547   0.838  1.00  0.00           C  
HETATM    2  C   UNL     1       0.783   4.648  -1.265  1.00  0.00           C  
HETATM    3  C   UNL     1       0.484   3.159  -1.468  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.748   5.142   1.593  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.094   0.364   0.923  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.336  -0.528   0.942  1.00  0.00           C  
HETATM    7  C   UNL     1       1.161  -0.508   1.003  1.00  0.00           C  
HETATM    8  C   UNL     1       2.404   0.371   0.847  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.591   0.344   0.862  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.672  -0.922   0.193  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.283  -3.012   1.241  1.00  0.00           O  
HETATM   12  C   UNL     1       7.490  -0.879   0.189  1.00  0.00           C  
HETATM   13  C   UNL     1       8.191  -2.235   0.094  1.00  0.00           C  
HETATM   14  C   UNL     1       9.651  -2.027  -0.316  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.514  -3.417  -0.533  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.615   0.861   2.023  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.329   1.034  -0.479  1.00  0.00           O  
HETATM   18  C   UNL     1       0.265   2.500  -0.103  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.801   3.163   0.579  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.372   5.288  -0.489  1.00  0.00           C  
HETATM   21  N   UNL     1       1.615   2.520  -2.144  1.00  0.00           N  
HETATM   22  O   UNL     1       0.916   5.286  -2.537  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.070   6.661  -0.231  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.070   1.123  -0.287  1.00  0.00           O  
HETATM   25  O   UNL     1       3.568  -0.456   0.785  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.746  -0.491   0.761  1.00  0.00           O  
HETATM   27  P   UNL     1      -5.244   0.091   0.658  1.00  0.00           P  
HETATM   28  O   UNL     1      -6.277  -1.122   0.428  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.359  -2.278   0.018  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.826  -2.061  -0.357  1.00  0.00           C  
HETATM   31  P   UNL     1       5.056   0.135   0.622  1.00  0.00           P  
HETATM   32  O   UNL     1       6.101  -1.078   0.458  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.850   4.529   2.880  1.00  0.00           O  
HETATM   34  O   UNL     1       1.202  -1.169   2.270  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.360  -1.287   2.152  1.00  0.00           O  
HETATM   36  O   UNL     1       8.142  -2.887   1.364  1.00  0.00           O  
HETATM   37  O   UNL     1      -9.902  -1.327  -1.581  1.00  0.00           O  
HETATM   38  O   UNL     1       5.437   0.998   1.927  1.00  0.00           O  
HETATM   39  O   UNL     1       5.114   1.002  -0.577  1.00  0.00           O  
HETATM   40  C   UNL     1       1.422   1.400  -2.868  1.00  0.00           C  
HETATM   41  C   UNL     1       2.586   0.742  -3.564  1.00  0.00           C  
HETATM   42  O   UNL     1       0.312   0.920  -2.959  1.00  0.00           O  
HETATM   43  H   UNL     1       0.345   4.650   1.441  1.00  0.00           H  
HETATM   44  H   UNL     1       1.709   4.760  -0.702  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.414   3.047  -2.075  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.602   6.216   1.712  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.663   4.960   1.030  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.120   1.042   1.777  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.310  -1.206   0.088  1.00  0.00           H  
HETATM   50  H   UNL     1       1.139  -1.251   0.206  1.00  0.00           H  
HETATM   51  H   UNL     1       2.323   0.954  -0.070  1.00  0.00           H  
HETATM   52  H   UNL     1       2.482   1.045   1.701  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.664   0.959   1.759  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.531   0.988  -0.016  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.112  -0.399   1.042  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.806  -0.327  -0.710  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.708  -2.572   1.991  1.00  0.00           H  
HETATM   58  H   UNL     1       7.936  -0.295   0.995  1.00  0.00           H  
HETATM   59  H   UNL     1       7.604  -0.343  -0.753  1.00  0.00           H  
HETATM   60  H   UNL     1       7.689  -2.852  -0.651  1.00  0.00           H  
HETATM   61  H   UNL     1      10.153  -1.410   0.429  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.535  -3.940   0.423  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.580   0.303   2.811  1.00  0.00           H  
HETATM   64  H   UNL     1       1.178   2.576   0.488  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.288   5.219  -1.076  1.00  0.00           H  
HETATM   66  H   UNL     1       2.503   2.903  -2.071  1.00  0.00           H  
HETATM   67  H   UNL     1       1.106   6.232  -2.484  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.758   7.128   0.263  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.861  -2.838  -0.774  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.325  -1.501   0.434  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.585   4.859   3.415  1.00  0.00           H  
HETATM   72  H   UNL     1       1.223  -0.568   3.027  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.385  -0.747   2.954  1.00  0.00           H  
HETATM   74  H   UNL     1       8.571  -2.394   2.077  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.478  -1.767  -2.331  1.00  0.00           H  
HETATM   76  H   UNL     1       5.419   0.493   2.751  1.00  0.00           H  
HETATM   77  H   UNL     1       3.335   0.453  -2.826  1.00  0.00           H  
HETATM   78  H   UNL     1       2.238  -0.144  -4.095  1.00  0.00           H  
HETATM   79  H   UNL     1       3.027   1.442  -4.274  1.00  0.00           H  
HETATM   80  C   UNL     1     -11.945  -3.203  -1.028  1.00  0.00           C  
HETATM   81  C   UNL     1      10.352  -3.384  -0.412  1.00  0.00           C  
HETATM   82  C   UNL     1      11.811  -3.176  -0.822  1.00  0.00           C  
HETATM   83  O   UNL     1      -9.791  -4.197  -1.487  1.00  0.00           O  
HETATM   84  O   UNL     1     -12.624  -4.459  -1.081  1.00  0.00           O  
HETATM   85  O   UNL     1       9.700  -1.375  -1.587  1.00  0.00           O  
HETATM   86  O   UNL     1      10.302  -4.036   0.859  1.00  0.00           O  
HETATM   87  O   UNL     1      12.435  -4.445  -1.024  1.00  0.00           O  
HETATM   88  H   UNL     1     -12.470  -2.534  -0.345  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.923  -2.760  -2.024  1.00  0.00           H  
HETATM   90  H   UNL     1       9.849  -4.001  -1.156  1.00  0.00           H  
HETATM   91  H   UNL     1      11.850  -2.600  -1.747  1.00  0.00           H  
HETATM   92  H   UNL     1      12.336  -2.634  -0.035  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.732  -3.792  -2.363  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.539  -4.399  -1.388  1.00  0.00           H  
HETATM   95  H   UNL     1       9.271  -1.868  -2.299  1.00  0.00           H  
HETATM   96  H   UNL     1      10.731  -3.542   1.571  1.00  0.00           H  
HETATM   97  H   UNL     1      13.364  -4.390  -1.286  1.00  0.00           H  
CONECT    1    4   19   20   43                                       
CONECT    2   20    3   22   44                                       
CONECT    3   18    2   21   45                                       
CONECT    4   33    1   46   47                                       
CONECT    5    6    7   24   48                                       
CONECT    6    9   35    5   49                                       
CONECT    7   34    5    8   50                                       
CONECT    8    7   25   51   52                                       
CONECT    9    6   26   53   54                                       
CONECT   10   29   28   55   56                                       
CONECT   11   29   57                                                 
CONECT   12   13   32   58   59                                       
CONECT   13   14   36   12   60                                       
CONECT   14   13   61   81   85                                       
CONECT   15   30   62   80   83                                       
CONECT   16   27   63                                                 
CONECT   17   27   27                                                 
CONECT   18   19   24    3   64                                       
CONECT   19    1   18                                                 
CONECT   20    1   23    2   65                                       
CONECT   21    3   40   66                                            
CONECT   22    2   67                                                 
CONECT   23   20   68                                                 
CONECT   24   18    5                                                 
CONECT   25    8   31                                                 
CONECT   26    9   27                                                 
CONECT   27   17   17   28   26                                       
CONECT   27   16                                                      
CONECT   28   10   27                                                 
CONECT   29   11   30   10   69                                       
CONECT   30   15   29   37   70                                       
CONECT   31   25   32   39   39                                       
CONECT   31   38                                                      
CONECT   32   12   31                                                 
CONECT   33    4   71                                                 
CONECT   34    7   72                                                 
CONECT   35    6   73                                                 
CONECT   36   13   74                                                 
CONECT   37   30   75                                                 
CONECT   38   31   76                                                 
CONECT   39   31   31                                                 
CONECT   40   21   41   42   42                                       
CONECT   41   40   77   78   79                                       
CONECT   42   40   40                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   15   84   88   89                                       
CONECT   81   14   82   86   90                                       
CONECT   82   81   87   91   92                                       
CONECT   83   15   93                                                 
CONECT   84   80   94                                                 
CONECT   85   14   95                                                 
CONECT   86   81   96                                                 
CONECT   87   82   97                                                 
CONECT   88   80                                                      
CONECT   89   80                                                      
CONECT   90   81                                                      
CONECT   91   82                                                      
CONECT   92   82                                                      
CONECT   93   83                                                      
CONECT   94   84                                                      
CONECT   95   85                                                      
CONECT   96   86                                                      
CONECT   97   87                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
