COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.747   5.168   0.876  1.00  0.00           C  
HETATM    2  C   UNL     1       2.614   3.779   0.804  1.00  0.00           C  
HETATM    3  C   UNL     1       3.865   3.310   0.441  1.00  0.00           C  
HETATM    4  C   UNL     1       3.777  -0.403   0.399  1.00  0.00           C  
HETATM    5  C   UNL     1       5.027  -2.162   0.090  1.00  0.00           C  
HETATM    6  C   UNL     1       4.477  -4.882   0.290  1.00  0.00           C  
HETATM    7  C   UNL     1       6.214   4.609  -1.566  1.00  0.00           C  
HETATM    8  C   UNL     1       6.081   4.387  -0.058  1.00  0.00           C  
HETATM    9  C   UNL     1       1.658   6.145   1.235  1.00  0.00           C  
HETATM   10  C   UNL     1       4.255   1.907   0.232  1.00  0.00           C  
HETATM   11  C   UNL     1       6.036  -3.087  -0.168  1.00  0.00           C  
HETATM   12  C   UNL     1       5.760  -4.448  -0.068  1.00  0.00           C  
HETATM   13  C   UNL     1       3.487  -3.977   0.544  1.00  0.00           C  
HETATM   14  C   UNL     1       3.744  -2.615   0.448  1.00  0.00           C  
HETATM   15  C   UNL     1       1.562  -1.448   1.022  1.00  0.00           C  
HETATM   16  C   UNL     1       0.691  -1.461  -0.235  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.785  -1.424   0.167  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.656  -1.437  -1.091  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.829  -0.282  -0.520  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.219   2.050  -0.458  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.715   3.431  -0.513  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.438   3.836  -0.862  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.452   5.229  -0.763  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.293   6.151  -1.043  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.820   4.620   0.176  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.904   4.669   1.702  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.147  -1.975  -0.138  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.190  -2.849   0.160  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.964  -4.223   0.132  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.697  -4.721  -0.195  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.672  -3.867  -0.488  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.880  -2.494  -0.465  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.064  -5.157   0.447  1.00  0.00           C  
HETATM   34  C   UNL     1       6.823  -5.437  -0.338  1.00  0.00           C  
HETATM   35  N   UNL     1       4.664   4.411   0.316  1.00  0.00           N  
HETATM   36  N   UNL     1       3.985   5.468   0.580  1.00  0.00           N  
HETATM   37  N   UNL     1       3.377   0.918   0.490  1.00  0.00           N  
HETATM   38  N   UNL     1       4.981  -0.803   0.078  1.00  0.00           N  
HETATM   39  N   UNL     1       2.976  -1.483   0.637  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.070  -1.401  -0.706  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.379   1.017  -0.668  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.651   5.593  -0.385  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.415   4.571  -0.235  1.00  0.00           N  
HETATM   44  N   UNL     1      -5.049  -0.621  -0.187  1.00  0.00           N  
HETATM   45  N   UNL     1      -6.847  -6.487   0.420  1.00  0.00           N  
HETATM   46  N   UNL     1       6.558  -6.755  -0.241  1.00  0.00           N  
HETATM   47  O   UNL     1       5.370   1.640  -0.175  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.394   1.840  -0.224  1.00  0.00           O  
HETATM   49  O   UNL     1      -8.165  -4.726   0.731  1.00  0.00           O  
HETATM   50  O   UNL     1       7.937  -5.062  -0.649  1.00  0.00           O  
HETATM   51  H   UNL     1       1.725   3.196   0.993  1.00  0.00           H  
HETATM   52  H   UNL     1       4.270  -5.939   0.366  1.00  0.00           H  
HETATM   53  H   UNL     1       5.685   3.818  -2.097  1.00  0.00           H  
HETATM   54  H   UNL     1       5.784   5.575  -1.830  1.00  0.00           H  
HETATM   55  H   UNL     1       7.268   4.592  -1.843  1.00  0.00           H  
HETATM   56  H   UNL     1       6.510   3.421   0.207  1.00  0.00           H  
HETATM   57  H   UNL     1       6.609   5.178   0.474  1.00  0.00           H  
HETATM   58  H   UNL     1       1.655   6.306   2.313  1.00  0.00           H  
HETATM   59  H   UNL     1       1.838   7.093   0.727  1.00  0.00           H  
HETATM   60  H   UNL     1       0.693   5.745   0.925  1.00  0.00           H  
HETATM   61  H   UNL     1       7.024  -2.751  -0.444  1.00  0.00           H  
HETATM   62  H   UNL     1       2.500  -4.321   0.819  1.00  0.00           H  
HETATM   63  H   UNL     1       1.364  -0.540   1.592  1.00  0.00           H  
HETATM   64  H   UNL     1       1.330  -2.319   1.634  1.00  0.00           H  
HETATM   65  H   UNL     1       0.923  -0.590  -0.847  1.00  0.00           H  
HETATM   66  H   UNL     1       0.889  -2.369  -0.805  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.017  -2.295   0.779  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.984  -0.516   0.737  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.424  -0.566  -1.703  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.458  -2.345  -1.661  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.607   3.209  -1.149  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.304   6.439  -2.094  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.378   7.041  -0.421  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.358   5.637  -0.817  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.336   3.731  -0.188  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.290   5.510  -0.243  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.434   3.779   2.121  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.388   5.558   2.066  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.950   4.706   2.008  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.167  -2.464   0.412  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.529  -5.788  -0.216  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.698  -4.260  -0.738  1.00  0.00           H  
HETATM   83  H   UNL     1       2.464   1.132   0.739  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.458   1.185  -0.922  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.969  -6.831   0.193  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.569  -7.100   0.627  1.00  0.00           H  
HETATM   87  H   UNL     1       5.669  -7.054   0.007  1.00  0.00           H  
HETATM   88  H   UNL     1       7.256  -7.404  -0.419  1.00  0.00           H  
CONECT    1    9   36   36    2                                       
CONECT    2    1    3    3   51                                       
CONECT    3   35    2    2   10                                       
CONECT    4   37   39   38   38                                       
CONECT    5   38   14   11   11                                       
CONECT    6   13   12   12   52                                       
CONECT    7    8   53   54   55                                       
CONECT    8    7   35   56   57                                       
CONECT    9    1   58   59   60                                       
CONECT   10    3   37   47   47                                       
CONECT   11    5    5   12   61                                       
CONECT   12    6    6   11   34                                       
CONECT   13   14   14    6   62                                       
CONECT   14   39   13   13    5                                       
CONECT   15   16   39   63   64                                       
CONECT   16   17   15   65   66                                       
CONECT   17   18   16   67   68                                       
CONECT   18   40   17   69   70                                       
CONECT   19   41   44   44   40                                       
CONECT   20   48   48   21   41                                       
CONECT   21   22   22   20   43                                       
CONECT   22   23   21   21   71                                       
CONECT   23   24   22   42   42                                       
CONECT   24   23   72   73   74                                       
CONECT   25   43   26   75   76                                       
CONECT   26   25   77   78   79                                       
CONECT   27   44   28   28   32                                       
CONECT   28   27   27   29   80                                       
CONECT   29   28   33   30   30                                       
CONECT   30   29   29   31   81                                       
CONECT   31   32   32   30   82                                       
CONECT   32   27   40   31   31                                       
CONECT   33   45   29   49   49                                       
CONECT   34   12   46   50   50                                       
CONECT   35   36    8    3                                            
CONECT   36    1    1   35                                            
CONECT   37   10    4   83                                            
CONECT   38    4    4    5                                            
CONECT   39   15    4   14                                            
CONECT   40   19   32   18                                            
CONECT   41   20   19   84                                            
CONECT   42   23   23   43                                            
CONECT   43   42   21   25                                            
CONECT   44   19   19   27                                            
CONECT   45   33   85   86                                            
CONECT   46   34   87   88                                            
CONECT   47   10   10                                                 
CONECT   48   20   20                                                 
CONECT   49   33   33                                                 
CONECT   50   34   34                                                 
CONECT   51    2                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   37                                                      
CONECT   84   41                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
