COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.543  -1.917   3.153  1.00  0.00           O  
HETATM    2  O   UNL     1       6.964   1.951  -0.938  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.552  -0.814   0.144  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.355  -0.539  -0.586  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.633  -1.317  -0.817  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.206  -2.542  -1.415  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.930  -1.551  -0.037  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.964  -1.951  -0.938  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.334  -0.250   0.663  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.504  -0.476   1.452  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.188   0.212   1.567  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.005   0.381   0.784  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.561   1.543   2.223  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.543   1.916   3.154  1.00  0.00           O  
HETATM   15  O   UNL     1       4.207   2.543  -1.414  1.00  0.00           O  
HETATM   16  C   UNL     1       1.674  -7.306  -0.644  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.674   7.306  -0.644  1.00  0.00           C  
HETATM   18  C   UNL     1       1.395  -6.089  -1.528  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.395   6.089  -1.528  1.00  0.00           C  
HETATM   20  C   UNL     1       1.116  -4.871  -0.644  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.116   4.871  -0.644  1.00  0.00           C  
HETATM   22  C   UNL     1       0.837  -3.653  -1.528  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.837   3.653  -1.528  1.00  0.00           C  
HETATM   24  C   UNL     1       0.558  -2.435  -0.644  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.558   2.435  -0.644  1.00  0.00           C  
HETATM   26  C   UNL     1       5.561  -1.543   2.223  1.00  0.00           C  
HETATM   27  C   UNL     1       0.279  -1.218  -1.528  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.279   1.218  -1.528  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.218  -0.279   0.239  1.00  0.00           C  
HETATM   30  C   UNL     1       1.218   0.279   0.239  1.00  0.00           C  
HETATM   31  O   UNL     1       2.355   0.539  -0.586  1.00  0.00           O  
HETATM   32  O   UNL     1       4.005  -0.381   0.784  1.00  0.00           O  
HETATM   33  O   UNL     1       7.504   0.476   1.452  1.00  0.00           O  
HETATM   34  C   UNL     1       5.188  -0.212   1.567  1.00  0.00           C  
HETATM   35  C   UNL     1       5.930   1.551  -0.037  1.00  0.00           C  
HETATM   36  C   UNL     1       3.552   0.814   0.144  1.00  0.00           C  
HETATM   37  C   UNL     1       4.633   1.317  -0.817  1.00  0.00           C  
HETATM   38  C   UNL     1       0.000   0.000  -0.644  1.00  0.00           C  
HETATM   39  C   UNL     1       6.334   0.250   0.663  1.00  0.00           C  
HETATM   40  H   UNL     1       4.713  -2.753   3.608  1.00  0.00           H  
HETATM   41  H   UNL     1       6.774   2.770  -1.416  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.352  -1.576   0.898  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.804  -0.572  -1.594  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.386  -2.468  -1.922  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.772  -2.332   0.708  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.774  -2.770  -1.416  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.540   0.516  -0.084  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.270  -0.776   0.944  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.010  -0.536   2.339  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.652   2.313   1.457  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.511   1.437   2.746  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.714   2.752   3.609  1.00  0.00           H  
HETATM   53  H   UNL     1       3.386   2.469  -1.921  1.00  0.00           H  
HETATM   54  H   UNL     1       0.806  -7.505  -0.015  1.00  0.00           H  
HETATM   55  H   UNL     1       1.872  -8.174  -1.273  1.00  0.00           H  
HETATM   56  H   UNL     1       2.541  -7.107  -0.015  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.872   8.174  -1.274  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.541   7.107  -0.015  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.806   7.505  -0.015  1.00  0.00           H  
HETATM   60  H   UNL     1       2.262  -5.890  -2.157  1.00  0.00           H  
HETATM   61  H   UNL     1       0.527  -6.287  -2.157  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.262   5.890  -2.157  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.527   6.287  -2.157  1.00  0.00           H  
HETATM   64  H   UNL     1       0.248  -5.069  -0.015  1.00  0.00           H  
HETATM   65  H   UNL     1       1.983  -4.672  -0.015  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.248   5.069  -0.015  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.983   4.672  -0.015  1.00  0.00           H  
HETATM   68  H   UNL     1       1.704  -3.454  -2.157  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.031  -3.852  -2.157  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.704   3.454  -2.157  1.00  0.00           H  
HETATM   71  H   UNL     1       0.031   3.852  -2.157  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.310  -2.634  -0.015  1.00  0.00           H  
HETATM   73  H   UNL     1       1.425  -2.237  -0.015  1.00  0.00           H  
HETATM   74  H   UNL     1       0.310   2.634  -0.015  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.425   2.237  -0.015  1.00  0.00           H  
HETATM   76  H   UNL     1       6.510  -1.436   2.747  1.00  0.00           H  
HETATM   77  H   UNL     1       5.653  -2.313   1.457  1.00  0.00           H  
HETATM   78  H   UNL     1       1.146  -1.019  -2.157  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.589  -1.416  -2.157  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.146   1.019  -2.157  1.00  0.00           H  
HETATM   81  H   UNL     1       0.589   1.416  -2.157  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.416   0.589   0.868  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.019  -1.146   0.868  1.00  0.00           H  
HETATM   84  H   UNL     1       1.416  -0.589   0.868  1.00  0.00           H  
HETATM   85  H   UNL     1       1.019   1.146   0.868  1.00  0.00           H  
HETATM   86  H   UNL     1       8.270   0.776   0.944  1.00  0.00           H  
HETATM   87  H   UNL     1       5.010   0.536   2.339  1.00  0.00           H  
HETATM   88  H   UNL     1       5.773   2.332   0.708  1.00  0.00           H  
HETATM   89  H   UNL     1       3.352   1.576   0.898  1.00  0.00           H  
HETATM   90  H   UNL     1       4.804   0.573  -1.594  1.00  0.00           H  
HETATM   91  H   UNL     1       6.540  -0.516  -0.084  1.00  0.00           H  
CONECT    1   26   40                                                 
CONECT    2   35   41                                                 
CONECT    3    5   12    4   42                                       
CONECT    4    3   29                                                 
CONECT    5    7    6    3   43                                       
CONECT    6    5   44                                                 
CONECT    7    8    9    5   45                                       
CONECT    8    7   46                                                 
CONECT    9   10    7   11   47                                       
CONECT   10    9   48                                                 
CONECT   11    9   13   12   49                                       
CONECT   12   11    3                                                 
CONECT   13   14   11   50   51                                       
CONECT   14   13   52                                                 
CONECT   15   37   53                                                 
CONECT   16   18   54   55   56                                       
CONECT   17   19   57   58   59                                       
CONECT   18   16   20   60   61                                       
CONECT   19   21   17   62   63                                       
CONECT   20   18   22   64   65                                       
CONECT   21   23   19   66   67                                       
CONECT   22   20   24   68   69                                       
CONECT   23   25   21   70   71                                       
CONECT   24   22   27   72   73                                       
CONECT   25   28   23   74   75                                       
CONECT   26   34    1   76   77                                       
CONECT   27   24   38   78   79                                       
CONECT   28   38   25   80   81                                       
CONECT   29    4   38   82   83                                       
CONECT   30   38   31   84   85                                       
CONECT   31   30   36                                                 
CONECT   32   36   34                                                 
CONECT   33   39   86                                                 
CONECT   34   32   39   26   87                                       
CONECT   35   37    2   39   88                                       
CONECT   36   31   37   32   89                                       
CONECT   37   15   36   35   90                                       
CONECT   38   29   27   30   28                                       
CONECT   39   35   34   33   91                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   39                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
