COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.030   2.465  -0.935  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.125   3.524   0.820  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.271   0.137  -0.009  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.750   3.984  -1.034  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.944   2.308   0.208  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.599   1.096   0.349  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.941   4.564  -0.222  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.998   0.137   2.733  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.478   3.592   1.390  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.642   2.466   2.411  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.489   1.105   1.743  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.528   1.158   0.592  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.748   1.712  -0.685  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.855   0.645   1.229  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.745  -0.762   0.700  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.437  -0.977  -0.631  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.331  -2.267  -1.116  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.543  -3.342  -0.273  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.856  -3.127   1.056  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.957  -1.836   1.543  1.00  0.00           C  
HETATM   21  C   UNL     1       2.607   1.622  -2.184  1.00  0.00           C  
HETATM   22  N   UNL     1       0.231   1.724  -1.610  1.00  0.00           N  
HETATM   23  O   UNL     1       2.337   1.457  -3.578  1.00  0.00           O  
HETATM   24  C   UNL     1       1.477   0.992  -1.368  1.00  0.00           C  
HETATM   25  C   UNL     1       1.300  -0.469  -1.786  1.00  0.00           C  
HETATM   26  C   UNL     1       0.080  -2.596  -1.304  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.918  -3.233  -0.441  1.00  0.00           N  
HETATM   28  C   UNL     1       0.257  -1.135  -0.886  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.246  -4.555  -0.630  1.00  0.00           C  
HETATM   30  O   UNL     1       4.501   0.306  -2.684  1.00  0.00           O  
HETATM   31  C   UNL     1       3.911   0.949  -1.842  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.669  -5.241  -1.576  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.183  -5.153   0.179  1.00  0.00           N  
HETATM   34  C   UNL     1       7.344   0.014   1.538  1.00  0.00           C  
HETATM   35  C   UNL     1       8.537   0.689   1.362  1.00  0.00           C  
HETATM   36  C   UNL     1       9.733   0.068   1.670  1.00  0.00           C  
HETATM   37  C   UNL     1       9.736  -1.226   2.156  1.00  0.00           C  
HETATM   38  C   UNL     1       8.543  -1.901   2.331  1.00  0.00           C  
HETATM   39  C   UNL     1       7.346  -1.281   2.022  1.00  0.00           C  
HETATM   40  C   UNL     1       6.040   0.687   1.196  1.00  0.00           C  
HETATM   41  C   UNL     1       5.688   0.405  -0.267  1.00  0.00           C  
HETATM   42  N   UNL     1       4.421   1.060  -0.599  1.00  0.00           N  
HETATM   43  H   UNL     1      -2.504   2.109  -1.849  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.798   4.239  -0.568  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.780   4.322  -2.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.831   4.654  -0.845  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.680   5.523   0.225  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.886  -0.777   2.320  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.136   0.453   3.151  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.619   4.554   1.882  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.215   3.474   0.596  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.884   2.572   3.187  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.631   2.534   2.865  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.577   0.670   2.046  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.186   1.309   0.431  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.275  -0.137  -1.290  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.085  -2.435  -2.154  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.464  -4.350  -0.652  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.022  -3.966   1.715  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.202  -1.668   2.581  1.00  0.00           H  
HETATM   61  H   UNL     1       0.112   2.216  -2.437  1.00  0.00           H  
HETATM   62  H   UNL     1       1.725   1.038  -0.307  1.00  0.00           H  
HETATM   63  H   UNL     1       0.965  -0.513  -2.822  1.00  0.00           H  
HETATM   64  H   UNL     1       2.251  -0.993  -1.689  1.00  0.00           H  
HETATM   65  H   UNL     1       1.031  -3.119  -1.207  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.254  -2.639  -2.340  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.348  -2.722   0.262  1.00  0.00           H  
HETATM   68  H   UNL     1       0.592  -1.092   0.151  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.694  -0.611  -0.982  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.900  -6.174  -1.709  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.613  -4.642   0.883  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.414  -6.085   0.046  1.00  0.00           H  
HETATM   73  H   UNL     1       2.674   2.685  -1.951  1.00  0.00           H  
HETATM   74  H   UNL     1       2.263   0.535  -3.858  1.00  0.00           H  
HETATM   75  H   UNL     1       8.535   1.699   0.979  1.00  0.00           H  
HETATM   76  H   UNL     1      10.666   0.596   1.533  1.00  0.00           H  
HETATM   77  H   UNL     1      10.671  -1.710   2.398  1.00  0.00           H  
HETATM   78  H   UNL     1       8.545  -2.912   2.711  1.00  0.00           H  
HETATM   79  H   UNL     1       6.414  -1.808   2.160  1.00  0.00           H  
HETATM   80  H   UNL     1       5.250   0.300   1.840  1.00  0.00           H  
HETATM   81  H   UNL     1       6.136   1.763   1.345  1.00  0.00           H  
HETATM   82  H   UNL     1       5.592  -0.670  -0.416  1.00  0.00           H  
HETATM   83  H   UNL     1       6.478   0.793  -0.911  1.00  0.00           H  
HETATM   84  H   UNL     1       3.949   1.574   0.075  1.00  0.00           H  
CONECT    1    5   43    4   13                                       
CONECT    2    5    9    7                                            
CONECT    3   12   12                                                 
CONECT    4    1    7   44   45                                       
CONECT    5    1    2   12                                            
CONECT    6   13   13                                                 
CONECT    7    4    2   46   47                                       
CONECT    8   11   48   49                                            
CONECT    9    2   10   50   51                                       
CONECT   10    9   11   52   53                                       
CONECT   11    8   10   14   12                                       
CONECT   12    5    3    3   11                                       
CONECT   13   22    6    6    1                                       
CONECT   14   11   15   54   55                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   56                                       
CONECT   17   18   57   16   16                                       
CONECT   18   19   19   58   17                                       
CONECT   19   20   18   18   59                                       
CONECT   20   15   15   19   60                                       
CONECT   21   24   23   31   73                                       
CONECT   22   13   61   24                                            
CONECT   23   21   74                                                 
CONECT   24   21   22   25   62                                       
CONECT   25   24   28   63   64                                       
CONECT   26   27   65   66   28                                       
CONECT   27   26   29   67                                            
CONECT   28   25   26   68   69                                       
CONECT   29   27   32   32   33                                       
CONECT   30   31   31                                                 
CONECT   31   42   21   30   30                                       
CONECT   32   29   29   70                                            
CONECT   33   29   71   72                                            
CONECT   34   35   40   39   39                                       
CONECT   35   34   36   36   75                                       
CONECT   36   37   35   35   76                                       
CONECT   37   38   38   36   77                                       
CONECT   38   39   37   37   78                                       
CONECT   39   34   34   79   38                                       
CONECT   40   34   41   80   81                                       
CONECT   41   40   42   82   83                                       
CONECT   42   31   84   41                                            
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
