COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.043   0.531   0.362  1.00  0.00           C  
HETATM    2  C   UNL     1       7.878   1.508   0.541  1.00  0.00           C  
HETATM    3  C   UNL     1       6.595   0.715   0.812  1.00  0.00           C  
HETATM    4  C   UNL     1       6.361  -0.265  -0.341  1.00  0.00           C  
HETATM    5  C   UNL     1       7.585  -1.173  -0.485  1.00  0.00           C  
HETATM    6  C   UNL     1       7.384  -2.116  -1.673  1.00  0.00           C  
HETATM    7  O   UNL     1       9.236  -0.206   1.571  1.00  0.00           O  
HETATM    8  O   UNL     1       8.146   2.375   1.644  1.00  0.00           O  
HETATM    9  O   UNL     1       5.489   1.615   0.907  1.00  0.00           O  
HETATM   10  O   UNL     1       5.206  -1.061  -0.064  1.00  0.00           O  
HETATM   11  O   UNL     1       8.747  -0.372  -0.705  1.00  0.00           O  
HETATM   12  O   UNL     1       8.472  -3.041  -1.737  1.00  0.00           O  
HETATM   13  C   UNL     1       3.984  -0.501  -0.550  1.00  0.00           C  
HETATM   14  C   UNL     1       2.839  -1.488  -0.310  1.00  0.00           C  
HETATM   15  C   UNL     1       1.525  -0.857  -0.778  1.00  0.00           C  
HETATM   16  C   UNL     1       1.315   0.468  -0.038  1.00  0.00           C  
HETATM   17  C   UNL     1       2.519   1.380  -0.289  1.00  0.00           C  
HETATM   18  C   UNL     1       2.345   2.681   0.496  1.00  0.00           C  
HETATM   19  O   UNL     1       3.082  -2.689  -1.046  1.00  0.00           O  
HETATM   20  O   UNL     1       0.440  -1.742  -0.491  1.00  0.00           O  
HETATM   21  O   UNL     1       0.128   1.101  -0.519  1.00  0.00           O  
HETATM   22  O   UNL     1       3.712   0.720   0.141  1.00  0.00           O  
HETATM   23  O   UNL     1       3.409   3.579   0.172  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.055   0.739   0.196  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.236   1.565  -0.320  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.511   1.129   0.409  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.717  -0.375   0.199  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.479  -1.126   0.694  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.652  -2.623   0.433  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.995   2.951  -0.071  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.631   1.843  -0.118  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.864  -0.807   0.934  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.325  -0.651  -0.002  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.550  -3.336   0.999  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.087  -0.734   0.199  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.221  -1.334   1.034  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.538  -1.198   0.264  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.776   0.279  -0.062  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.582   0.817  -0.855  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.784   2.308  -1.134  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.953  -2.716   1.281  1.00  0.00           O  
HETATM   42  O   UNL     1      -9.614  -1.689   1.067  1.00  0.00           O  
HETATM   43  O   UNL     1      -9.966   0.410  -0.843  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.386   0.632  -0.096  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.729   2.783  -1.972  1.00  0.00           O  
HETATM   46  H   UNL     1       7.756   2.099  -0.367  1.00  0.00           H  
HETATM   47  H   UNL     1       6.699   0.163   1.746  1.00  0.00           H  
HETATM   48  H   UNL     1       6.208   0.290  -1.266  1.00  0.00           H  
HETATM   49  H   UNL     1       7.713  -1.758   0.426  1.00  0.00           H  
HETATM   50  H   UNL     1       6.449  -2.664  -1.548  1.00  0.00           H  
HETATM   51  H   UNL     1       7.345  -1.536  -2.595  1.00  0.00           H  
HETATM   52  H   UNL     1       9.961  -0.845   1.531  1.00  0.00           H  
HETATM   53  H   UNL     1       8.948   2.905   1.543  1.00  0.00           H  
HETATM   54  H   UNL     1       5.574   2.270   1.613  1.00  0.00           H  
HETATM   55  H   UNL     1       8.410  -3.671  -2.468  1.00  0.00           H  
HETATM   56  H   UNL     1       4.075  -0.302  -1.618  1.00  0.00           H  
HETATM   57  H   UNL     1       2.774  -1.719   0.753  1.00  0.00           H  
HETATM   58  H   UNL     1       1.571  -0.672  -1.851  1.00  0.00           H  
HETATM   59  H   UNL     1       1.219   0.276   1.031  1.00  0.00           H  
HETATM   60  H   UNL     1       2.590   1.603  -1.353  1.00  0.00           H  
HETATM   61  H   UNL     1       1.391   3.139   0.234  1.00  0.00           H  
HETATM   62  H   UNL     1       2.363   2.467   1.564  1.00  0.00           H  
HETATM   63  H   UNL     1       3.902  -3.140  -0.804  1.00  0.00           H  
HETATM   64  H   UNL     1       0.512  -2.605  -0.922  1.00  0.00           H  
HETATM   65  H   UNL     1       3.363   4.427   0.634  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.911   0.934   1.258  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.355   1.401  -1.391  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.412   1.338   1.474  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.866  -0.577  -0.862  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.354  -0.955   1.764  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.580  -2.967   0.889  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.687  -2.803  -0.642  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.199   3.295  -0.499  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.564   2.803  -0.025  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.594  -4.293   0.871  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.986  -1.293  -0.732  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.296  -0.802   1.982  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.481  -1.772  -0.661  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.883   0.844   0.863  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.501   0.278  -1.799  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.741   2.457  -1.634  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.776   2.857  -0.193  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.129  -2.877   1.762  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.525  -2.619   1.317  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.763   0.084  -0.403  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.793   3.723  -2.190  1.00  0.00           H  
HETATM   87  H   UNL     1       9.951   1.087   0.127  1.00  0.00           H  
CONECT    1    2    7   11   87                                       
CONECT    2    1    3    8   46                                       
CONECT    3    2    4    9   47                                       
CONECT    4    3    5   10   48                                       
CONECT    5    4    6   11   49                                       
CONECT    6    5   12   50   51                                       
CONECT    7    1   52                                                 
CONECT    8    2   53                                                 
CONECT    9    3   54                                                 
CONECT   10    4   13                                                 
CONECT   11    1    5                                                 
CONECT   12    6   55                                                 
CONECT   13   10   14   22   56                                       
CONECT   14   13   15   19   57                                       
CONECT   15   14   16   20   58                                       
CONECT   16   15   17   21   59                                       
CONECT   17   16   18   22   60                                       
CONECT   18   17   23   61   62                                       
CONECT   19   14   63                                                 
CONECT   20   15   64                                                 
CONECT   21   16   24                                                 
CONECT   22   13   17                                                 
CONECT   23   18   65                                                 
CONECT   24   21   25   33   66                                       
CONECT   25   24   26   30   67                                       
CONECT   26   25   27   31   68                                       
CONECT   27   26   28   32   69                                       
CONECT   28   27   29   33   70                                       
CONECT   29   28   34   71   72                                       
CONECT   30   25   73                                                 
CONECT   31   26   74                                                 
CONECT   32   27   35                                                 
CONECT   33   24   28                                                 
CONECT   34   29   75                                                 
CONECT   35   32   36   44   76                                       
CONECT   36   35   37   41   77                                       
CONECT   37   36   38   42   78                                       
CONECT   38   37   39   43   79                                       
CONECT   39   38   40   44   80                                       
CONECT   40   39   45   81   82                                       
CONECT   41   36   83                                                 
CONECT   42   37   84                                                 
CONECT   43   38   85                                                 
CONECT   44   35   39                                                 
CONECT   45   40   86                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87    1                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
