COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.732  -1.758  -0.037  1.00  0.00           C  
HETATM    2  C   UNL     1       2.341  -2.019  -0.075  1.00  0.00           C  
HETATM    3  C   UNL     1       1.453  -0.918  -0.149  1.00  0.00           C  
HETATM    4  N   UNL     1       1.967   0.303  -0.180  1.00  0.00           N  
HETATM    5  N   UNL     1       4.152  -0.483  -0.068  1.00  0.00           N  
HETATM    6  C   UNL     1       6.689   5.944   1.015  1.00  0.00           C  
HETATM    7  N   UNL     1       7.195   5.285  -0.196  1.00  0.00           N  
HETATM    8  C   UNL     1       8.621   5.574  -0.396  1.00  0.00           C  
HETATM    9  C   UNL     1       6.953   3.837  -0.147  1.00  0.00           C  
HETATM   10  C   UNL     1       5.447   3.569  -0.188  1.00  0.00           C  
HETATM   11  C   UNL     1       5.196   2.061  -0.137  1.00  0.00           C  
HETATM   12  N   UNL     1       3.754   1.805  -0.177  1.00  0.00           N  
HETATM   13  C   UNL     1       3.281   0.505  -0.142  1.00  0.00           C  
HETATM   14  C   UNL     1       4.632  -2.829   0.037  1.00  0.00           C  
HETATM   15  C   UNL     1       4.151  -4.119   0.066  1.00  0.00           C  
HETATM   16  O   UNL     1       5.021  -5.160   0.139  1.00  0.00           O  
HETATM   17  C   UNL     1       6.413  -4.839   0.181  1.00  0.00           C  
HETATM   18  C   UNL     1       2.772  -4.370   0.023  1.00  0.00           C  
HETATM   19  O   UNL     1       2.321  -5.653   0.053  1.00  0.00           O  
HETATM   20  C   UNL     1       0.905  -5.844   0.005  1.00  0.00           C  
HETATM   21  C   UNL     1       1.877  -3.340  -0.039  1.00  0.00           C  
HETATM   22  N   UNL     1       0.088  -1.112  -0.190  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.813   0.040  -0.267  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.137  -0.388  -0.907  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.096   0.804  -0.929  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.086   0.571   1.143  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.076   1.736   1.062  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.325   1.275   0.443  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.348   2.330   0.474  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.677   1.753   0.060  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.506   1.233   1.006  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.746   0.694   0.624  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.628   0.149   1.572  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.822  -0.364   1.165  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.184  -0.358  -0.180  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.354   0.162  -1.127  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.115   0.700  -0.744  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.232   1.246  -1.693  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.042   1.764  -1.285  1.00  0.00           C  
HETATM   40  H   UNL     1       6.817   7.023   0.922  1.00  0.00           H  
HETATM   41  H   UNL     1       5.631   5.714   1.140  1.00  0.00           H  
HETATM   42  H   UNL     1       7.243   5.586   1.883  1.00  0.00           H  
HETATM   43  H   UNL     1       9.197   5.152   0.428  1.00  0.00           H  
HETATM   44  H   UNL     1       8.953   5.132  -1.336  1.00  0.00           H  
HETATM   45  H   UNL     1       8.772   6.653  -0.429  1.00  0.00           H  
HETATM   46  H   UNL     1       7.431   3.359  -1.002  1.00  0.00           H  
HETATM   47  H   UNL     1       7.369   3.430   0.775  1.00  0.00           H  
HETATM   48  H   UNL     1       4.970   4.047   0.667  1.00  0.00           H  
HETATM   49  H   UNL     1       5.032   3.976  -1.110  1.00  0.00           H  
HETATM   50  H   UNL     1       5.674   1.584  -0.993  1.00  0.00           H  
HETATM   51  H   UNL     1       5.611   1.654   0.785  1.00  0.00           H  
HETATM   52  H   UNL     1       3.131   2.546  -0.228  1.00  0.00           H  
HETATM   53  H   UNL     1       5.695  -2.644   0.071  1.00  0.00           H  
HETATM   54  H   UNL     1       6.996  -5.758   0.237  1.00  0.00           H  
HETATM   55  H   UNL     1       6.687  -4.290  -0.720  1.00  0.00           H  
HETATM   56  H   UNL     1       6.618  -4.224   1.057  1.00  0.00           H  
HETATM   57  H   UNL     1       0.512  -5.416  -0.917  1.00  0.00           H  
HETATM   58  H   UNL     1       0.681  -6.910   0.036  1.00  0.00           H  
HETATM   59  H   UNL     1       0.444  -5.351   0.861  1.00  0.00           H  
HETATM   60  H   UNL     1       0.817  -3.544  -0.072  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.275  -2.011  -0.167  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.354   0.823  -0.869  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.955  -0.727  -1.927  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.577  -1.199  -0.327  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.661   1.610  -1.522  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.045   0.499  -1.371  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.510  -0.224   1.756  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.153   0.916   1.589  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.283   2.107   2.065  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.646   2.536   0.460  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.425   2.732   1.484  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.068   3.127  -0.215  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.211   1.234   2.046  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.361   0.136   2.619  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.498  -0.783   1.896  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.137  -0.771  -0.477  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.648   0.159  -2.166  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.499   1.257  -2.739  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.366   2.183  -2.016  1.00  0.00           H  
CONECT    1    2    2   14    5                                       
CONECT    2   21    3    1    1                                       
CONECT    3   22    2    4    4                                       
CONECT    4    3    3   13                                            
CONECT    5    1   13   13                                            
CONECT    6    7   40   41   42                                       
CONECT    7    9    8    6                                            
CONECT    8    7   43   44   45                                       
CONECT    9   10    7   46   47                                       
CONECT   10   11    9   48   49                                       
CONECT   11   12   10   50   51                                       
CONECT   12   13   11   52                                            
CONECT   13    4    5    5   12                                       
CONECT   14   15   15    1   53                                       
CONECT   15   18   16   14   14                                       
CONECT   16   15   17                                                 
CONECT   17   16   54   55   56                                       
CONECT   18   19   21   21   15                                       
CONECT   19   20   18                                                 
CONECT   20   19   57   58   59                                       
CONECT   21   18   18    2   60                                       
CONECT   22   23    3   61                                            
CONECT   23   26   22   24   62                                       
CONECT   24   23   25   63   64                                       
CONECT   25   28   24   65   66                                       
CONECT   26   27   23   67   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   27   29   25                                            
CONECT   29   28   30   71   72                                       
CONECT   30   39   29   31   31                                       
CONECT   31   30   30   32   73                                       
CONECT   32   37   31   33   33                                       
CONECT   33   32   32   34   74                                       
CONECT   34   35   35   33   75                                       
CONECT   35   36   34   34   76                                       
CONECT   36   37   37   35   77                                       
CONECT   37   38   36   36   32                                       
CONECT   38   39   39   37   78                                       
CONECT   39   38   38   30   79                                       
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
