COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.058  -4.772   0.165  1.00  0.00           O  
HETATM    2  C   UNL     1       5.999  -4.073   1.327  1.00  0.00           C  
HETATM    3  C   UNL     1       6.299  -4.696   2.535  1.00  0.00           C  
HETATM    4  O   UNL     1       6.654  -6.009   2.553  1.00  0.00           O  
HETATM    5  C   UNL     1       6.237  -3.980   3.717  1.00  0.00           C  
HETATM    6  C   UNL     1       5.876  -2.642   3.707  1.00  0.00           C  
HETATM    7  C   UNL     1       5.576  -2.011   2.520  1.00  0.00           C  
HETATM    8  C   UNL     1       5.640  -2.720   1.316  1.00  0.00           C  
HETATM    9  C   UNL     1       5.320  -2.048   0.042  1.00  0.00           C  
HETATM   10  O   UNL     1       5.377  -2.667  -1.003  1.00  0.00           O  
HETATM   11  N   UNL     1       4.964  -0.748   0.037  1.00  0.00           N  
HETATM   12  C   UNL     1       4.646  -0.081  -1.228  1.00  0.00           C  
HETATM   13  C   UNL     1       5.918   0.413  -1.869  1.00  0.00           C  
HETATM   14  O   UNL     1       6.984   0.227  -1.323  1.00  0.00           O  
HETATM   15  N   UNL     1       5.869   1.063  -3.049  1.00  0.00           N  
HETATM   16  C   UNL     1       7.105   1.543  -3.672  1.00  0.00           C  
HETATM   17  C   UNL     1       6.786   2.214  -4.943  1.00  0.00           C  
HETATM   18  C   UNL     1       6.531   2.748  -5.956  1.00  0.00           C  
HETATM   19  C   UNL     1       3.717   1.104  -0.960  1.00  0.00           C  
HETATM   20  N   UNL     1       2.534   0.641  -0.230  1.00  0.00           N  
HETATM   21  C   UNL     1       1.570   1.517   0.117  1.00  0.00           C  
HETATM   22  O   UNL     1       1.683   2.689  -0.175  1.00  0.00           O  
HETATM   23  C   UNL     1       0.353   1.041   0.868  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.286   2.179   1.533  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.739   3.218   0.805  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.617   3.212  -0.405  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.383   4.364   1.475  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.525   4.375   2.865  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.127   5.447   3.488  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.593   6.517   2.743  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.460   6.521   1.365  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.920   7.576   0.640  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.850   5.448   0.722  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.717   5.448  -0.629  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.633   0.403  -0.112  1.00  0.00           C  
HETATM   36  N   UNL     1      -1.865   0.048   0.596  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.883  -0.531  -0.070  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.779  -0.759  -1.257  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.150  -0.896   0.659  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.095  -1.507  -0.279  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.305  -1.916   0.152  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.612  -1.778   1.321  1.00  0.00           O  
HETATM   43  C   UNL     1      -7.256  -2.531  -0.793  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.907  -2.691  -2.136  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.798  -3.267  -3.016  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.042  -3.689  -2.576  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.402  -3.537  -1.248  1.00  0.00           C  
HETATM   48  O   UNL     1     -10.625  -3.954  -0.824  1.00  0.00           O  
HETATM   49  C   UNL     1      -8.511  -2.962  -0.347  1.00  0.00           C  
HETATM   50  O   UNL     1      -8.861  -2.812   0.956  1.00  0.00           O  
HETATM   51  H   UNL     1       5.227  -5.203  -0.078  1.00  0.00           H  
HETATM   52  H   UNL     1       7.605  -6.161   2.464  1.00  0.00           H  
HETATM   53  H   UNL     1       6.471  -4.466   4.653  1.00  0.00           H  
HETATM   54  H   UNL     1       5.830  -2.091   4.635  1.00  0.00           H  
HETATM   55  H   UNL     1       5.295  -0.969   2.518  1.00  0.00           H  
HETATM   56  H   UNL     1       4.919  -0.254   0.870  1.00  0.00           H  
HETATM   57  H   UNL     1       4.153  -0.786  -1.897  1.00  0.00           H  
HETATM   58  H   UNL     1       5.016   1.212  -3.486  1.00  0.00           H  
HETATM   59  H   UNL     1       7.599   2.248  -3.003  1.00  0.00           H  
HETATM   60  H   UNL     1       7.768   0.699  -3.863  1.00  0.00           H  
HETATM   61  H   UNL     1       6.303   3.226  -6.863  1.00  0.00           H  
HETATM   62  H   UNL     1       4.242   1.851  -0.364  1.00  0.00           H  
HETATM   63  H   UNL     1       3.409   1.546  -1.908  1.00  0.00           H  
HETATM   64  H   UNL     1       2.444  -0.296   0.003  1.00  0.00           H  
HETATM   65  H   UNL     1       0.652   0.305   1.614  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.383   2.184   2.498  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.164   3.543   3.452  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.235   5.453   4.562  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.064   7.353   3.239  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.267   8.277   0.507  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.894   5.848  -0.943  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.863   1.111  -0.909  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.190  -0.495  -0.542  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.948   0.230   1.546  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.920  -1.604   1.455  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.594   0.002   1.088  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.850  -1.617  -1.211  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.938  -2.364  -2.486  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.525  -3.389  -4.054  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.733  -4.138  -3.273  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.644  -4.871  -0.519  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.631  -3.567   1.515  1.00  0.00           H  
CONECT    1    2   51                                                 
CONECT    2    8    8    3    1                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3   52                                                 
CONECT    5    6    3    3   53                                       
CONECT    6    7    7    5   54                                       
CONECT    7    6    6    8   55                                       
CONECT    8    7    9    2    2                                       
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   56                                            
CONECT   12   11   19   13   57                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   58                                            
CONECT   16   15   17   59   60                                       
CONECT   17   18   18   18   16                                       
CONECT   18   17   17   17   61                                       
CONECT   19   12   20   62   63                                       
CONECT   20   19   21   64                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   35   65                                       
CONECT   24   25   23   66                                            
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   28   33   25                                       
CONECT   28   29   27   27   67                                       
CONECT   29   30   30   28   68                                       
CONECT   30   29   29   31   69                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   70                                                 
CONECT   33   31   31   27   34                                       
CONECT   34   33   71                                                 
CONECT   35   23   36   72   73                                       
CONECT   36   35   37   74                                            
CONECT   37   36   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   75   76                                       
CONECT   40   39   41   77                                            
CONECT   41   40   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   49   41   44   44                                       
CONECT   44   43   43   45   78                                       
CONECT   45   46   46   44   79                                       
CONECT   46   47   45   45   80                                       
CONECT   47   48   49   49   46                                       
CONECT   48   47   81                                                 
CONECT   49   50   47   47   43                                       
CONECT   50   49   82                                                 
CONECT   51    1                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   48                                                      
CONECT   82   50                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
