COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.614   2.016  -0.221  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.477   2.446  -0.202  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.146   3.744  -0.310  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.685   3.861  -0.240  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.158   2.458  -0.066  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.270   1.618  -0.052  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.093   0.221   0.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.971  -0.944   0.015  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.349  -1.061  -0.178  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.872  -2.343  -0.192  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.072  -3.459  -0.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.705  -3.365   0.178  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.152  -2.085   0.201  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.862  -1.670   0.410  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.811  -0.288   0.275  1.00  0.00           C  
HETATM   16  C   UNL     1       0.297   0.566   0.266  1.00  0.00           C  
HETATM   17  C   UNL     1       0.127   1.941   0.059  1.00  0.00           C  
HETATM   18  C   UNL     1       1.482   2.496   0.010  1.00  0.00           C  
HETATM   19  C   UNL     1       1.946   3.796  -0.187  1.00  0.00           C  
HETATM   20  C   UNL     1       3.319   3.977  -0.185  1.00  0.00           C  
HETATM   21  C   UNL     1       4.193   2.922   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1       3.751   1.625   0.204  1.00  0.00           C  
HETATM   23  C   UNL     1       2.373   1.415   0.210  1.00  0.00           C  
HETATM   24  N   UNL     1       1.641   0.271   0.420  1.00  0.00           N  
HETATM   25  C   UNL     1       2.148  -1.055   0.791  1.00  0.00           C  
HETATM   26  C   UNL     1       3.488  -0.928   1.518  1.00  0.00           C  
HETATM   27  O   UNL     1       1.198  -1.736   1.615  1.00  0.00           O  
HETATM   28  C   UNL     1       0.294  -2.494   0.778  1.00  0.00           C  
HETATM   29  C   UNL     1       1.088  -2.850  -0.494  1.00  0.00           C  
HETATM   30  C   UNL     1       2.308  -1.907  -0.484  1.00  0.00           C  
HETATM   31  O   UNL     1       2.299  -1.071  -1.643  1.00  0.00           O  
HETATM   32  C   UNL     1       3.605  -2.717  -0.425  1.00  0.00           C  
HETATM   33  O   UNL     1       3.650  -3.626  -1.526  1.00  0.00           O  
HETATM   34  H   UNL     1      -1.300   4.295  -1.162  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.977  -0.193  -0.311  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.933  -2.475  -0.340  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.529  -4.438  -0.045  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.094  -4.245   0.311  1.00  0.00           H  
HETATM   39  H   UNL     1       1.266   4.622  -0.335  1.00  0.00           H  
HETATM   40  H   UNL     1       3.718   4.970  -0.336  1.00  0.00           H  
HETATM   41  H   UNL     1       5.255   3.115  -0.007  1.00  0.00           H  
HETATM   42  H   UNL     1       4.445   0.810   0.350  1.00  0.00           H  
HETATM   43  H   UNL     1       3.421  -0.139   2.267  1.00  0.00           H  
HETATM   44  H   UNL     1       3.728  -1.872   2.006  1.00  0.00           H  
HETATM   45  H   UNL     1       4.269  -0.682   0.799  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.033  -3.394   1.298  1.00  0.00           H  
HETATM   47  H   UNL     1       1.413  -3.890  -0.458  1.00  0.00           H  
HETATM   48  H   UNL     1       0.480  -2.674  -1.381  1.00  0.00           H  
HETATM   49  H   UNL     1       2.352  -1.556  -2.478  1.00  0.00           H  
HETATM   50  H   UNL     1       4.458  -2.040  -0.477  1.00  0.00           H  
HETATM   51  H   UNL     1       3.641  -3.276   0.510  1.00  0.00           H  
HETATM   52  H   UNL     1       4.446  -4.173  -1.552  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.769   4.480  -0.417  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.400   4.478   0.612  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    6    3                                       
CONECT    3    2    4   53                                            
CONECT    4    5    3   34   54                                       
CONECT    5    6   17   17    4                                       
CONECT    6    7    7    2    5                                       
CONECT    7    8   15    6    6                                       
CONECT    8    9   13   13    7                                       
CONECT    9   10   10    8   35                                       
CONECT   10   11    9    9   36                                       
CONECT   11   10   12   12   37                                       
CONECT   12   11   11   13   38                                       
CONECT   13   12    8    8   14                                       
CONECT   14   13   28   15                                            
CONECT   15   14    7   16   16                                       
CONECT   16   15   15   24   17                                       
CONECT   17   16    5    5   18                                       
CONECT   18   17   23   23   19                                       
CONECT   19   18   20   20   39                                       
CONECT   20   19   19   21   40                                       
CONECT   21   22   22   20   41                                       
CONECT   22   23   21   21   42                                       
CONECT   23   24   18   18   22                                       
CONECT   24   25   16   23                                            
CONECT   25   30   27   24   26                                       
CONECT   26   25   43   44   45                                       
CONECT   27   28   25                                                 
CONECT   28   29   14   27   46                                       
CONECT   29   28   30   47   48                                       
CONECT   30   29   32   31   25                                       
CONECT   31   30   49                                                 
CONECT   32   33   30   50   51                                       
CONECT   33   32   52                                                 
CONECT   34    4                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   31                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
