COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.191   1.618   0.163  1.00  0.00           C  
HETATM    2  O   UNL     1       6.561  -0.295   1.600  1.00  0.00           O  
HETATM    3  C   UNL     1       2.178   0.730  -0.166  1.00  0.00           C  
HETATM    4  O   UNL     1       7.299  -4.433  -0.695  1.00  0.00           O  
HETATM    5  C   UNL     1       0.877   1.181  -0.283  1.00  0.00           C  
HETATM    6  C   UNL     1       0.585   2.516  -0.072  1.00  0.00           C  
HETATM    7  C   UNL     1       1.594   3.403   0.256  1.00  0.00           C  
HETATM    8  C   UNL     1       2.896   2.958   0.374  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.376  -1.514  -0.857  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.558  -1.010   0.274  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.604  -1.386   1.421  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.834   3.005  -0.201  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.758   1.827  -0.372  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.223   3.779   1.060  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.949   3.924  -1.419  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.410   3.202  -2.655  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.379  -2.203   2.126  1.00  0.00           C  
HETATM   18  C   UNL     1       8.220  -3.701  -0.421  1.00  0.00           C  
HETATM   19  C   UNL     1       7.958  -2.260  -0.064  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.761  -3.491   0.491  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.977   2.905   2.291  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.758   0.807   0.561  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.605  -0.274   0.404  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.453  -0.335  -0.686  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.453   0.685  -1.619  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.610   1.768  -1.459  1.00  0.00           C  
HETATM   27  C   UNL     1       3.994   3.925   0.733  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.659  -1.277  -0.057  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.596  -2.473  -0.231  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.011  -2.559  -1.596  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.823  -2.294   0.665  1.00  0.00           C  
HETATM   32  O   UNL     1       4.471   1.176   0.285  1.00  0.00           O  
HETATM   33  C   UNL     1       4.700  -0.216   0.059  1.00  0.00           C  
HETATM   34  C   UNL     1       6.188  -0.523   0.239  1.00  0.00           C  
HETATM   35  C   UNL     1       6.454  -1.986  -0.123  1.00  0.00           C  
HETATM   36  O   UNL     1       9.478  -4.171  -0.435  1.00  0.00           O  
HETATM   37  H   UNL     1       6.078  -0.839   2.237  1.00  0.00           H  
HETATM   38  H   UNL     1       2.405  -0.312  -0.331  1.00  0.00           H  
HETATM   39  H   UNL     1       0.088   0.491  -0.540  1.00  0.00           H  
HETATM   40  H   UNL     1       1.364   4.446   0.419  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.622  -1.632  -1.912  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.884  -2.416  -0.495  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.890  -0.158   0.398  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.874  -1.076  -0.767  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.432  -0.883   0.912  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.329  -1.163   2.204  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.871  -2.324   0.935  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.611  -1.475   1.862  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.620   4.685   1.131  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.278   4.048   1.010  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.995   4.187  -1.579  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.369   4.831  -1.246  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.039   2.339  -2.875  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.417   3.883  -3.506  1.00  0.00           H  
HETATM   55  H   UNL     1       0.611   2.868  -2.465  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.253  -2.075   2.764  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.856  -3.118   2.405  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.711  -1.350   2.250  1.00  0.00           H  
HETATM   59  H   UNL     1       8.324  -2.064   0.944  1.00  0.00           H  
HETATM   60  H   UNL     1       8.474  -1.611  -0.771  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.078  -3.556  -0.550  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.238  -4.406   0.770  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.635  -3.363   1.130  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.656   2.052   2.273  1.00  0.00           H  
HETATM   65  H   UNL     1       0.053   2.550   2.285  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.154   3.490   3.194  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.095   0.855   1.413  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.115   0.637  -2.471  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.614   2.567  -2.186  1.00  0.00           H  
HETATM   70  H   UNL     1       4.416   4.350  -0.178  1.00  0.00           H  
HETATM   71  H   UNL     1       3.587   4.724   1.352  1.00  0.00           H  
HETATM   72  H   UNL     1       4.775   3.400   1.284  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.413  -1.158   0.998  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.151  -0.374  -0.419  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.073  -3.388   0.047  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.485  -1.777  -1.913  1.00  0.00           H  
HETATM   77  H   UNL     1       4.119  -0.800   0.773  1.00  0.00           H  
HETATM   78  H   UNL     1       4.396  -0.475  -0.955  1.00  0.00           H  
HETATM   79  H   UNL     1       6.774   0.125  -0.412  1.00  0.00           H  
HETATM   80  H   UNL     1       6.089  -2.183  -1.131  1.00  0.00           H  
HETATM   81  H   UNL     1       5.938  -2.635   0.584  1.00  0.00           H  
HETATM   82  H   UNL     1       9.596  -5.101  -0.670  1.00  0.00           H  
CONECT    1    3    3    8   32                                       
CONECT    2   34   37                                                 
CONECT    3    1    1    5   38                                       
CONECT    4   18   18                                                 
CONECT    5    3    6    6   39                                       
CONECT    6    5    5    7   12                                       
CONECT    7    6    8    8   40                                       
CONECT    8    1    7    7   27                                       
CONECT    9   24   28   41   42                                       
CONECT   10   31   43   44   45                                       
CONECT   11   23   46   47   48                                       
CONECT   12    6   13   14   15                                       
CONECT   13   12   22   22   26                                       
CONECT   14   12   21   49   50                                       
CONECT   15   12   16   51   52                                       
CONECT   16   15   53   54   55                                       
CONECT   17   31   56   57   58                                       
CONECT   18    4    4   19   36                                       
CONECT   19   18   35   59   60                                       
CONECT   20   31   61   62   63                                       
CONECT   21   14   64   65   66                                       
CONECT   22   13   13   23   67                                       
CONECT   23   11   22   24   24                                       
CONECT   24    9   23   23   25                                       
CONECT   25   24   26   26   68                                       
CONECT   26   13   25   25   69                                       
CONECT   27    8   70   71   72                                       
CONECT   28    9   29   73   74                                       
CONECT   29   28   30   31   75                                       
CONECT   30   29   76                                                 
CONECT   31   10   17   20   29                                       
CONECT   32    1   33                                                 
CONECT   33   32   34   77   78                                       
CONECT   34    2   33   35   79                                       
CONECT   35   19   34   80   81                                       
CONECT   36   18   82                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
