COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.955   3.939  -1.883  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.289   3.489  -1.114  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.402   4.522  -1.295  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.750   2.155  -1.643  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.844   1.069  -0.919  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.334  -0.094  -1.766  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.132   0.369  -3.228  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.168   1.907  -3.071  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.607  -1.403  -1.455  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.857  -0.160  -1.503  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.050  -0.395   0.005  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.505   0.919   0.660  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.936   0.675   1.187  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.998  -0.858   1.404  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.201  -1.406   0.194  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.645  -2.797   0.507  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.306  -5.075   0.850  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.596   1.254   1.844  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.200  -0.037   2.562  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.330   1.969   1.347  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.499   0.978   0.542  1.00  0.00           C  
HETATM   22  C   UNL     1       1.491   0.586   1.820  1.00  0.00           C  
HETATM   23  C   UNL     1       2.887   1.159   2.072  1.00  0.00           C  
HETATM   24  C   UNL     1       3.783   0.887   0.857  1.00  0.00           C  
HETATM   25  C   UNL     1       3.797  -0.618   0.594  1.00  0.00           C  
HETATM   26  C   UNL     1       2.357  -1.088   0.356  1.00  0.00           C  
HETATM   27  C   UNL     1       2.381  -2.587   0.052  1.00  0.00           C  
HETATM   28  C   UNL     1       4.591  -2.332  -0.863  1.00  0.00           C  
HETATM   29  C   UNL     1       5.407  -2.568  -2.135  1.00  0.00           C  
HETATM   30  C   UNL     1       5.233  -3.092   0.300  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.202  -0.084  -4.061  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.719  -3.738   0.563  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.574   2.439   2.464  1.00  0.00           O  
HETATM   34  O   UNL     1       0.888   1.270   0.720  1.00  0.00           O  
HETATM   35  O   UNL     1       2.790   2.569   2.286  1.00  0.00           O  
HETATM   36  O   UNL     1       5.110   1.341   1.129  1.00  0.00           O  
HETATM   37  O   UNL     1       3.258  -2.807  -1.060  1.00  0.00           O  
HETATM   38  O   UNL     1       4.575  -0.933  -0.561  1.00  0.00           O  
HETATM   39  O   UNL     1       1.584  -0.810   1.519  1.00  0.00           O  
HETATM   40  H   UNL     1       1.289   4.904  -1.501  1.00  0.00           H  
HETATM   41  H   UNL     1       1.748   3.203  -1.754  1.00  0.00           H  
HETATM   42  H   UNL     1       0.714   4.032  -2.942  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.047   3.396  -0.055  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.643   4.615  -2.354  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.288   4.201  -0.747  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.068   5.487  -0.912  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.170   0.034  -3.614  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.176   2.285  -3.243  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.465   2.374  -3.760  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.762  -1.665  -0.409  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.999  -2.197  -2.091  1.00  0.00           H  
HETATM   52  H   UNL     1       0.460  -1.280  -1.644  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.325   0.779  -1.795  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.295  -0.985  -2.065  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.132  -0.765   0.459  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.504   1.727  -0.072  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.091   1.201   2.129  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.674   0.987   0.448  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.517  -1.135   2.341  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.030  -1.209   1.382  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.832  -1.437  -0.695  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.944  -3.092  -0.275  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.130  -2.775   1.467  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.179  -5.727   0.876  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.619  -5.417   0.076  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.805  -5.101   1.818  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.130   1.904   2.537  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.670  -0.691   1.868  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.550   0.200   3.405  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.095  -0.541   2.924  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.610   2.811   0.714  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.700  -0.033   0.897  1.00  0.00           H  
HETATM   73  H   UNL     1       0.877   0.724   2.711  1.00  0.00           H  
HETATM   74  H   UNL     1       3.319   0.687   2.954  1.00  0.00           H  
HETATM   75  H   UNL     1       3.386   1.408  -0.015  1.00  0.00           H  
HETATM   76  H   UNL     1       4.210  -1.135   1.461  1.00  0.00           H  
HETATM   77  H   UNL     1       1.936  -0.552  -0.495  1.00  0.00           H  
HETATM   78  H   UNL     1       2.747  -3.132   0.922  1.00  0.00           H  
HETATM   79  H   UNL     1       1.377  -2.927  -0.200  1.00  0.00           H  
HETATM   80  H   UNL     1       4.948  -2.031  -2.966  1.00  0.00           H  
HETATM   81  H   UNL     1       6.424  -2.206  -1.987  1.00  0.00           H  
HETATM   82  H   UNL     1       5.430  -3.634  -2.360  1.00  0.00           H  
HETATM   83  H   UNL     1       6.252  -2.734   0.449  1.00  0.00           H  
HETATM   84  H   UNL     1       4.653  -2.925   1.207  1.00  0.00           H  
HETATM   85  H   UNL     1       5.252  -4.157   0.071  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.119   0.182  -4.986  1.00  0.00           H  
HETATM   87  H   UNL     1       0.240   2.901   2.222  1.00  0.00           H  
HETATM   88  H   UNL     1       2.238   2.815   3.040  1.00  0.00           H  
HETATM   89  H   UNL     1       5.172   2.286   1.321  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    4    3   43                                       
CONECT    3    2   44   45   46                                       
CONECT    4    5    5    2    8                                       
CONECT    5   21    6    4    4                                       
CONECT    6    9    5    7   10                                       
CONECT    7    6    8   31   47                                       
CONECT    8    4    7   48   49                                       
CONECT    9    6   50   51   52                                       
CONECT   10    6   11   53   54                                       
CONECT   11   10   12   15   55                                       
CONECT   12   18   11   13   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   59   60                                       
CONECT   15   11   16   14   61                                       
CONECT   16   15   32   62   63                                       
CONECT   17   32   64   65   66                                       
CONECT   18   20   19   12   67                                       
CONECT   19   18   68   69   70                                       
CONECT   20   33   21   18   71                                       
CONECT   21   34   20    5   72                                       
CONECT   22   23   39   34   73                                       
CONECT   23   35   24   22   74                                       
CONECT   24   36   23   25   75                                       
CONECT   25   24   38   26   76                                       
CONECT   26   25   39   27   77                                       
CONECT   27   26   37   78   79                                       
CONECT   28   30   38   29   37                                       
CONECT   29   28   80   81   82                                       
CONECT   30   28   83   84   85                                       
CONECT   31    7   86                                                 
CONECT   32   16   17                                                 
CONECT   33   20   87                                                 
CONECT   34   22   21                                                 
CONECT   35   23   88                                                 
CONECT   36   24   89                                                 
CONECT   37   28   27                                                 
CONECT   38   25   28                                                 
CONECT   39   22   26                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   33                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
