COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.210   3.593  -1.023  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.932   2.201  -0.454  1.00  0.00           C  
HETATM    3  C   UNL     1       0.201   2.253   0.599  1.00  0.00           C  
HETATM    4  C   UNL     1       1.443   1.562   0.045  1.00  0.00           C  
HETATM    5  C   UNL     1       1.040   0.554  -1.033  1.00  0.00           C  
HETATM    6  C   UNL     1       2.542   2.470  -0.476  1.00  0.00           C  
HETATM    7  C   UNL     1       3.681   1.565  -0.970  1.00  0.00           C  
HETATM    8  C   UNL     1       4.192   0.646   0.136  1.00  0.00           C  
HETATM    9  C   UNL     1       5.259  -0.282  -0.421  1.00  0.00           C  
HETATM   10  C   UNL     1       4.815  -0.735  -1.813  1.00  0.00           C  
HETATM   11  C   UNL     1       6.580   0.474  -0.582  1.00  0.00           C  
HETATM   12  C   UNL     1       7.643  -0.477  -1.136  1.00  0.00           C  
HETATM   13  C   UNL     1       7.891  -1.610  -0.139  1.00  0.00           C  
HETATM   14  O   UNL     1       8.944  -2.447  -0.622  1.00  0.00           O  
HETATM   15  C   UNL     1       6.613  -2.439   0.023  1.00  0.00           C  
HETATM   16  C   UNL     1       5.483  -1.504   0.419  1.00  0.00           C  
HETATM   17  C   UNL     1       4.770  -1.807   1.464  1.00  0.00           C  
HETATM   18  C   UNL     1       3.635  -0.954   1.953  1.00  0.00           C  
HETATM   19  C   UNL     1       3.056  -0.166   0.773  1.00  0.00           C  
HETATM   20  C   UNL     1       2.014   0.815   1.280  1.00  0.00           C  
HETATM   21  C   UNL     1       0.748   0.188   1.874  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.305   1.321   1.739  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.542   0.747   1.289  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.137   1.695   0.377  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.162   1.004  -0.525  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.394   0.627   0.299  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.419  -0.064  -0.603  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.846  -1.391  -1.103  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.700  -0.329   0.191  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.713  -0.876  -0.694  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.906  -1.166  -0.150  1.00  0.00           C  
HETATM   32  O   UNL     1      -9.096  -0.969   1.027  1.00  0.00           O  
HETATM   33  C   UNL     1     -10.006  -1.736  -1.007  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.250  -1.974  -0.148  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.307   3.979  -1.497  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.009   3.531  -1.762  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.511   4.262  -0.217  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.686   1.500  -1.252  1.00  0.00           H  
HETATM   39  H   UNL     1       0.399   3.267   0.945  1.00  0.00           H  
HETATM   40  H   UNL     1       0.690   1.087  -1.917  1.00  0.00           H  
HETATM   41  H   UNL     1       1.901  -0.061  -1.296  1.00  0.00           H  
HETATM   42  H   UNL     1       0.241  -0.084  -0.653  1.00  0.00           H  
HETATM   43  H   UNL     1       2.164   3.075  -1.300  1.00  0.00           H  
HETATM   44  H   UNL     1       2.900   3.116   0.326  1.00  0.00           H  
HETATM   45  H   UNL     1       3.317   0.957  -1.798  1.00  0.00           H  
HETATM   46  H   UNL     1       4.502   2.188  -1.322  1.00  0.00           H  
HETATM   47  H   UNL     1       4.652   1.261   0.910  1.00  0.00           H  
HETATM   48  H   UNL     1       4.700   0.135  -2.459  1.00  0.00           H  
HETATM   49  H   UNL     1       5.567  -1.404  -2.234  1.00  0.00           H  
HETATM   50  H   UNL     1       3.863  -1.261  -1.738  1.00  0.00           H  
HETATM   51  H   UNL     1       6.442   1.306  -1.273  1.00  0.00           H  
HETATM   52  H   UNL     1       6.902   0.856   0.387  1.00  0.00           H  
HETATM   53  H   UNL     1       7.298  -0.895  -2.082  1.00  0.00           H  
HETATM   54  H   UNL     1       8.571   0.071  -1.300  1.00  0.00           H  
HETATM   55  H   UNL     1       8.175  -1.189   0.826  1.00  0.00           H  
HETATM   56  H   UNL     1       9.156  -3.189  -0.038  1.00  0.00           H  
HETATM   57  H   UNL     1       6.372  -2.928  -0.921  1.00  0.00           H  
HETATM   58  H   UNL     1       6.759  -3.190   0.799  1.00  0.00           H  
HETATM   59  H   UNL     1       5.004  -2.713   2.003  1.00  0.00           H  
HETATM   60  H   UNL     1       2.861  -1.589   2.382  1.00  0.00           H  
HETATM   61  H   UNL     1       4.001  -0.262   2.711  1.00  0.00           H  
HETATM   62  H   UNL     1       2.614  -0.837   0.036  1.00  0.00           H  
HETATM   63  H   UNL     1       2.465   1.521   1.977  1.00  0.00           H  
HETATM   64  H   UNL     1       0.446  -0.688   1.300  1.00  0.00           H  
HETATM   65  H   UNL     1       0.903  -0.073   2.921  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.425   1.866   2.675  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.598   2.517   0.924  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.455   1.682  -1.327  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.721   0.104  -0.952  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.102  -0.050   1.102  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.835   1.528   0.727  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.646   0.579  -1.454  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.576  -1.883  -1.746  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.933  -1.202  -1.669  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.620  -2.033  -0.252  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.492  -1.041   0.989  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.061   0.605   0.622  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.245  -1.035  -1.806  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.677  -2.681  -1.439  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.046  -2.387  -0.767  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.011  -2.676   0.651  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.579  -1.029   0.285  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3   24   38                                       
CONECT    3    4    2   22   39                                       
CONECT    4    5    6    3   20                                       
CONECT    5    4   40   41   42                                       
CONECT    6    7    4   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   19   47                                       
CONECT    9   10   11    8   16                                       
CONECT   10    9   48   49   50                                       
CONECT   11   12    9   51   52                                       
CONECT   12   11   13   53   54                                       
CONECT   13   12   14   15   55                                       
CONECT   14   13   56                                                 
CONECT   15   13   16   57   58                                       
CONECT   16    9   15   17   17                                       
CONECT   17   16   16   18   59                                       
CONECT   18   19   17   60   61                                       
CONECT   19    8   20   18   62                                       
CONECT   20    4   19   21   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22    3   23   21   66                                       
CONECT   23   24   22                                                 
CONECT   24    2   25   23   67                                       
CONECT   25   24   26   68   69                                       
CONECT   26   25   27   70   71                                       
CONECT   27   29   26   28   72                                       
CONECT   28   27   73   74   75                                       
CONECT   29   30   27   76   77                                       
CONECT   30   31   29                                                 
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   34   31   78   79                                       
CONECT   34   33   80   81   82                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
