COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.144   5.770   1.600  1.00  0.00           N  
HETATM    2  C   UNL     1       5.096   4.668   0.827  1.00  0.00           C  
HETATM    3  O   UNL     1       4.048   4.325   0.322  1.00  0.00           O  
HETATM    4  C   UNL     1       6.346   3.860   0.588  1.00  0.00           C  
HETATM    5  C   UNL     1       7.402   4.739  -0.089  1.00  0.00           C  
HETATM    6  C   UNL     1       8.645   3.895  -0.381  1.00  0.00           C  
HETATM    7  C   UNL     1       8.254   2.705  -1.260  1.00  0.00           C  
HETATM    8  N   UNL     1       7.243   1.896  -0.568  1.00  0.00           N  
HETATM    9  C   UNL     1       6.944   0.670  -1.322  1.00  0.00           C  
HETATM   10  O   UNL     1       5.956  -0.120  -0.625  1.00  0.00           O  
HETATM   11  C   UNL     1       6.102  -1.458  -1.147  1.00  0.00           C  
HETATM   12  C   UNL     1       5.506  -2.478  -0.174  1.00  0.00           C  
HETATM   13  O   UNL     1       4.090  -2.295  -0.102  1.00  0.00           O  
HETATM   14  P   UNL     1       3.136  -3.198   0.829  1.00  0.00           P  
HETATM   15  O   UNL     1       3.161  -4.720   0.306  1.00  0.00           O  
HETATM   16  O   UNL     1       3.621  -3.149   2.227  1.00  0.00           O  
HETATM   17  O   UNL     1       1.630  -2.632   0.763  1.00  0.00           O  
HETATM   18  P   UNL     1       0.336  -2.784   1.708  1.00  0.00           P  
HETATM   19  O   UNL     1       0.734  -2.605   3.122  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.302  -4.249   1.512  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.753  -1.667   1.311  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.969  -1.474   2.035  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.770  -0.338   1.395  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.277  -0.745   0.105  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.377   0.149  -0.170  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.271  -0.436  -1.173  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.407  -1.763  -1.456  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.287  -1.927  -2.400  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.770  -0.721  -2.782  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.714  -0.289  -3.730  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.383  -1.199  -4.529  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.950   1.014  -3.840  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.317   1.890  -3.081  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.426   1.532  -2.181  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.128   0.250  -1.995  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.110   0.301   1.181  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.582   1.640   1.347  1.00  0.00           O  
HETATM   38  P   UNL     1      -7.139   2.004   1.535  1.00  0.00           P  
HETATM   39  O   UNL     1      -7.917   1.440   0.409  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.672   1.382   2.921  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.316   3.604   1.561  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.029  -0.027   2.234  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.799   1.100   3.083  1.00  0.00           O  
HETATM   44  C   UNL     1       7.627  -1.667  -1.277  1.00  0.00           C  
HETATM   45  O   UNL     1       7.931  -2.426  -2.449  1.00  0.00           O  
HETATM   46  C   UNL     1       8.194  -0.235  -1.394  1.00  0.00           C  
HETATM   47  O   UNL     1       8.865  -0.062  -2.644  1.00  0.00           O  
HETATM   48  C   UNL     1       6.021   2.671  -0.318  1.00  0.00           C  
HETATM   49  H   UNL     1       4.340   6.290   1.753  1.00  0.00           H  
HETATM   50  H   UNL     1       5.982   6.042   2.007  1.00  0.00           H  
HETATM   51  H   UNL     1       6.732   3.497   1.541  1.00  0.00           H  
HETATM   52  H   UNL     1       7.002   5.134  -1.022  1.00  0.00           H  
HETATM   53  H   UNL     1       7.667   5.564   0.572  1.00  0.00           H  
HETATM   54  H   UNL     1       9.384   4.505  -0.902  1.00  0.00           H  
HETATM   55  H   UNL     1       9.068   3.532   0.556  1.00  0.00           H  
HETATM   56  H   UNL     1       7.844   3.069  -2.203  1.00  0.00           H  
HETATM   57  H   UNL     1       9.134   2.095  -1.459  1.00  0.00           H  
HETATM   58  H   UNL     1       6.594   0.918  -2.324  1.00  0.00           H  
HETATM   59  H   UNL     1       5.624  -1.539  -2.123  1.00  0.00           H  
HETATM   60  H   UNL     1       5.724  -3.486  -0.526  1.00  0.00           H  
HETATM   61  H   UNL     1       5.942  -2.335   0.814  1.00  0.00           H  
HETATM   62  H   UNL     1       2.855  -4.828  -0.605  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.586  -4.437   0.607  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.557  -2.391   2.010  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.740  -1.218   3.070  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.149   0.554   1.296  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.005   1.115  -0.513  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.864  -2.559  -0.969  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.202  -2.148  -4.439  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.032  -0.889  -5.179  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.535   2.941  -3.207  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.938  -0.405   1.247  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.206   1.708   3.703  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.231   3.896   1.672  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.320  -0.897   2.823  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.087   0.970   3.724  1.00  0.00           H  
HETATM   77  H   UNL     1       8.022  -2.162  -0.389  1.00  0.00           H  
HETATM   78  H   UNL     1       8.875  -2.587  -2.579  1.00  0.00           H  
HETATM   79  H   UNL     1       8.868  -0.022  -0.565  1.00  0.00           H  
HETATM   80  H   UNL     1       9.657  -0.608  -2.743  1.00  0.00           H  
HETATM   81  H   UNL     1       5.280   2.035   0.167  1.00  0.00           H  
HETATM   82  H   UNL     1       5.622   3.035  -1.265  1.00  0.00           H  
CONECT    1    2   49   50                                            
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5   48    2   51                                       
CONECT    5    6    4   52   53                                       
CONECT    6    7    5   54   55                                       
CONECT    7    6    8   56   57                                       
CONECT    8    7    9   48                                            
CONECT    9    8   10   46   58                                       
CONECT   10    9   11                                                 
CONECT   11   10   44   12   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   12   14                                                 
CONECT   14   13   16   16   15                                       
CONECT   14   17                                                      
CONECT   15   14   62                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18                                                 
CONECT   18   17   21   19   19                                       
CONECT   18   20                                                      
CONECT   19   18   18                                                 
CONECT   20   18   63                                                 
CONECT   21   22   18                                                 
CONECT   22   23   21   64   65                                       
CONECT   23   24   22   42   66                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   36   67                                       
CONECT   26   25   35   27                                            
CONECT   27   26   28   28   68                                       
CONECT   28   29   27   27                                            
CONECT   29   35   35   30   28                                       
CONECT   30   32   32   29   31                                       
CONECT   31   30   69   70                                            
CONECT   32   33   30   30                                            
CONECT   33   34   34   32   71                                       
CONECT   34   33   33   35                                            
CONECT   35   34   26   29   29                                       
CONECT   36   25   42   37   72                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   40                                       
CONECT   38   41                                                      
CONECT   39   38   38                                                 
CONECT   40   38   73                                                 
CONECT   41   38   74                                                 
CONECT   42   23   43   36   75                                       
CONECT   43   42   76                                                 
CONECT   44   45   46   11   77                                       
CONECT   45   44   78                                                 
CONECT   46    9   47   44   79                                       
CONECT   47   46   80                                                 
CONECT   48    8    4   81   82                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   36                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
CONECT   80   47                                                      
CONECT   81   48                                                      
CONECT   82   48                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
