COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.421   2.657   1.728  1.00  0.00           N  
HETATM    2  C   UNL     1       2.787   3.850   2.171  1.00  0.00           C  
HETATM    3  N   UNL     1       3.989   4.342   1.988  1.00  0.00           N  
HETATM    4  C   UNL     1       4.920   3.638   1.327  1.00  0.00           C  
HETATM    5  C   UNL     1       4.577   2.355   0.834  1.00  0.00           C  
HETATM    6  C   UNL     1       3.264   1.878   1.063  1.00  0.00           C  
HETATM    7  C   UNL     1      10.567  -5.306  -2.094  1.00  0.00           C  
HETATM    8  C   UNL     1       9.883  -4.722   0.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.467   1.909  -4.063  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.318   3.566  -2.199  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.516   2.526  -2.774  1.00  0.00           C  
HETATM   12  N   UNL     1     -10.768  -2.420   1.953  1.00  0.00           N  
HETATM   13  O   UNL     1       6.969  -0.532   0.086  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.121   0.587  -0.309  1.00  0.00           O  
HETATM   15  C   UNL     1      -7.450  -3.834   1.237  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.745  -3.713   1.703  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.861  -2.790   0.548  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.800   0.773   0.774  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.082  -1.502   1.084  1.00  0.00           C  
HETATM   20  C   UNL     1       0.516   1.171   0.646  1.00  0.00           C  
HETATM   21  C   UNL     1       1.234  -1.104   0.956  1.00  0.00           C  
HETATM   22  C   UNL     1       7.126   3.386   0.439  1.00  0.00           C  
HETATM   23  C   UNL     1       6.213   4.136   1.115  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.869  -1.492   0.790  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.491   0.867  -1.145  1.00  0.00           C  
HETATM   26  C   UNL     1       5.530   1.600   0.141  1.00  0.00           C  
HETATM   27  C   UNL     1       8.725  -2.245  -0.922  1.00  0.00           C  
HETATM   28  C   UNL     1       8.897  -0.762  -1.255  1.00  0.00           C  
HETATM   29  C   UNL     1       9.836  -3.052  -1.599  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.616   0.321  -1.252  1.00  0.00           N  
HETATM   31  N   UNL     1       7.753   1.370  -0.743  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.438  -0.968   1.122  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.665  -0.826   0.434  1.00  0.00           N  
HETATM   34  N   UNL     1       2.871   0.637   0.607  1.00  0.00           N  
HETATM   35  C   UNL     1       7.804   0.032  -0.589  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.398  -0.368   0.391  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.459  -2.542   1.482  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.103  -0.565   0.993  1.00  0.00           C  
HETATM   39  C   UNL     1       1.537   0.233   0.737  1.00  0.00           C  
HETATM   40  C   UNL     1       6.794   2.119  -0.051  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.569  -1.617   0.323  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.733   1.171  -1.711  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.657  -0.205  -0.323  1.00  0.00           C  
HETATM   44  N   UNL     1       9.671  -4.476  -1.279  1.00  0.00           N  
HETATM   45  N   UNL     1      -6.970  -0.559  -0.375  1.00  0.00           N  
HETATM   46  C   UNL     1      -7.008   2.289  -2.683  1.00  0.00           C  
HETATM   47  H   UNL     1       2.062   4.445   2.707  1.00  0.00           H  
HETATM   48  H   UNL     1      10.425  -6.356  -1.837  1.00  0.00           H  
HETATM   49  H   UNL     1      10.341  -5.157  -3.150  1.00  0.00           H  
HETATM   50  H   UNL     1      11.602  -5.022  -1.900  1.00  0.00           H  
HETATM   51  H   UNL     1      10.914  -4.483   0.415  1.00  0.00           H  
HETATM   52  H   UNL     1       9.207  -4.095   0.735  1.00  0.00           H  
HETATM   53  H   UNL     1       9.686  -5.771   0.376  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.392   1.740  -3.998  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.958   0.998  -4.407  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.666   2.717  -4.766  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.517   4.375  -2.903  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.703   3.837  -1.216  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.244   3.397  -2.135  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.007   1.616  -3.118  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.901   2.797  -1.791  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.715   3.335  -3.477  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.179  -3.154   2.436  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.265  -1.602   1.798  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.896  -4.744   1.414  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.203  -4.530   2.241  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.849  -2.888   0.185  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.594   1.502   0.708  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.318  -2.542   1.254  1.00  0.00           H  
HETATM   70  H   UNL     1       0.751   2.211   0.475  1.00  0.00           H  
HETATM   71  H   UNL     1       2.027  -1.833   1.027  1.00  0.00           H  
HETATM   72  H   UNL     1       8.120   3.775   0.278  1.00  0.00           H  
HETATM   73  H   UNL     1       6.484   5.113   1.487  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.422  -0.581   0.617  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.563   1.387  -1.332  1.00  0.00           H  
HETATM   76  H   UNL     1       5.279   0.621  -0.239  1.00  0.00           H  
HETATM   77  H   UNL     1       8.782  -2.384   0.157  1.00  0.00           H  
HETATM   78  H   UNL     1       7.756  -2.589  -1.283  1.00  0.00           H  
HETATM   79  H   UNL     1       9.867  -0.419  -0.895  1.00  0.00           H  
HETATM   80  H   UNL     1       8.841  -0.623  -2.335  1.00  0.00           H  
HETATM   81  H   UNL     1       9.779  -2.913  -2.678  1.00  0.00           H  
HETATM   82  H   UNL     1      10.805  -2.709  -1.238  1.00  0.00           H  
HETATM   83  H   UNL     1       8.381   1.815  -1.334  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.672  -1.680   1.739  1.00  0.00           H  
HETATM   85  H   UNL     1       3.519   0.043   0.197  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.886  -1.588   0.993  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   26                                       
CONECT    6    1    5    5   34                                       
CONECT    7   44   48   49   50                                       
CONECT    8   44   51   52   53                                       
CONECT    9   46   54   55   56                                       
CONECT   10   46   57   58   59                                       
CONECT   11   46   60   61   62                                       
CONECT   12   37   63   64                                            
CONECT   13   35   35                                                 
CONECT   14   36   36                                                 
CONECT   15   16   16   17   65                                       
CONECT   16   15   15   37   66                                       
CONECT   17   15   41   41   67                                       
CONECT   18   20   20   38   68                                       
CONECT   19   21   38   38   69                                       
CONECT   20   18   18   39   70                                       
CONECT   21   19   39   39   71                                       
CONECT   22   23   23   40   72                                       
CONECT   23    4   22   22   73                                       
CONECT   24   37   37   41   74                                       
CONECT   25   42   43   43   75                                       
CONECT   26    5   40   40   76                                       
CONECT   27   28   29   77   78                                       
CONECT   28   27   35   79   80                                       
CONECT   29   27   44   81   82                                       
CONECT   30   42   42   45                                            
CONECT   31   35   40   83                                            
CONECT   32   36   38   84                                            
CONECT   33   36   43   86                                            
CONECT   34    6   39   85                                            
CONECT   35   13   13   28   31                                       
CONECT   36   14   14   32   33                                       
CONECT   37   12   16   24   24                                       
CONECT   38   18   19   19   32                                       
CONECT   39   20   21   21   34                                       
CONECT   40   22   26   26   31                                       
CONECT   41   17   17   24   45                                       
CONECT   42   25   30   30   46                                       
CONECT   43   25   25   33   45                                       
CONECT   44    7    8   29                                            
CONECT   45   30   41   43                                            
CONECT   46    9   10   11   42                                       
CONECT   47    2                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   33                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
