COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.794   0.537   0.558  1.00  0.00           C  
HETATM    2  O   UNL     1       2.389  -0.500   1.039  1.00  0.00           O  
HETATM    3  C   UNL     1       4.251   0.684   0.203  1.00  0.00           C  
HETATM    4  N   UNL     1       4.964  -0.558   0.532  1.00  0.00           N  
HETATM    5  C   UNL     1       6.390  -0.451   0.198  1.00  0.00           C  
HETATM    6  C   UNL     1       6.622  -0.870  -1.268  1.00  0.00           C  
HETATM    7  C   UNL     1       7.978  -1.618  -1.239  1.00  0.00           C  
HETATM    8  C   UNL     1       7.911  -2.395   0.099  1.00  0.00           C  
HETATM    9  C   UNL     1       7.209  -1.420   1.067  1.00  0.00           C  
HETATM   10  N   UNL     1       1.941   1.558   0.342  1.00  0.00           N  
HETATM   11  C   UNL     1       0.501   1.548   0.636  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.187   0.479  -0.175  1.00  0.00           C  
HETATM   13  O   UNL     1       0.458  -0.223  -0.924  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.055   2.936   0.253  1.00  0.00           C  
HETATM   15  C   UNL     1       1.207   3.838   0.286  1.00  0.00           C  
HETATM   16  C   UNL     1       2.297   2.868  -0.233  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.519   0.305  -0.067  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.187  -0.734  -0.855  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.664  -0.722  -0.553  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.163  -1.498   0.477  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.514  -1.491   0.759  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.376  -0.699   0.002  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.827  -0.686   0.299  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.300  -1.416   1.269  1.00  0.00           N  
HETATM   25  N   UNL     1      -8.677   0.098  -0.450  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.867   0.082  -1.035  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.514   0.071  -1.304  1.00  0.00           C  
HETATM   28  H   UNL     1       4.346   0.886  -0.865  1.00  0.00           H  
HETATM   29  H   UNL     1       4.681   1.511   0.768  1.00  0.00           H  
HETATM   30  H   UNL     1       4.837  -0.800   1.503  1.00  0.00           H  
HETATM   31  H   UNL     1       6.734   0.572   0.354  1.00  0.00           H  
HETATM   32  H   UNL     1       5.827  -1.534  -1.606  1.00  0.00           H  
HETATM   33  H   UNL     1       6.685   0.009  -1.911  1.00  0.00           H  
HETATM   34  H   UNL     1       8.058  -2.306  -2.081  1.00  0.00           H  
HETATM   35  H   UNL     1       8.809  -0.913  -1.235  1.00  0.00           H  
HETATM   36  H   UNL     1       7.323  -3.306  -0.018  1.00  0.00           H  
HETATM   37  H   UNL     1       8.914  -2.632   0.453  1.00  0.00           H  
HETATM   38  H   UNL     1       7.951  -0.869   1.644  1.00  0.00           H  
HETATM   39  H   UNL     1       6.548  -1.970   1.737  1.00  0.00           H  
HETATM   40  H   UNL     1       0.345   1.367   1.699  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.790   3.274   0.983  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.486   2.912  -0.748  1.00  0.00           H  
HETATM   43  H   UNL     1       1.429   4.163   1.302  1.00  0.00           H  
HETATM   44  H   UNL     1       1.093   4.694  -0.380  1.00  0.00           H  
HETATM   45  H   UNL     1       3.281   3.181   0.116  1.00  0.00           H  
HETATM   46  H   UNL     1       2.279   2.821  -1.322  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.035   0.866   0.532  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.032  -0.541  -1.916  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.772  -1.709  -0.598  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.494  -2.112   1.063  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.902  -2.098   1.563  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.250  -1.407   1.463  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.325   0.642  -1.173  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.627   0.106  -0.256  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.530   0.697  -1.625  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.118   0.679  -2.103  1.00  0.00           H  
CONECT    1   10    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   28   29                                       
CONECT    4    3    5   30                                            
CONECT    5    4    6    9   31                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    5    8   38   39                                       
CONECT   10   11   16    1                                            
CONECT   11   14   12   10   40                                       
CONECT   12   13   13   17   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   11   41   42                                       
CONECT   15   14   16   43   44                                       
CONECT   16   15   10   45   46                                       
CONECT   17   18   12   47                                            
CONECT   18   17   19   48   49                                       
CONECT   19   18   27   27   20                                       
CONECT   20   19   21   21   50                                       
CONECT   21   20   20   22   51                                       
CONECT   22   26   26   21   23                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23   52                                            
CONECT   25   23   53   54                                            
CONECT   26   27   22   22   55                                       
CONECT   27   19   19   26   56                                       
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
