COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.815   0.004   0.009  1.00  0.00           N  
HETATM    2  N   UNL     1       1.865  -2.099   0.068  1.00  0.00           N  
HETATM    3  C   UNL     1       1.271   0.181   0.259  1.00  0.00           C  
HETATM    4  C   UNL     1       0.922  -1.174   0.193  1.00  0.00           C  
HETATM    5  C   UNL     1       3.143  -1.738   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       4.197  -2.764  -0.133  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.498  -1.574   0.262  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.173  -3.405   0.367  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.538  -0.491   0.278  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.167   0.881  -0.214  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.356   1.768  -0.647  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.951   1.886   0.730  1.00  0.00           C  
HETATM   13  C   UNL     1       4.252   2.444  -0.045  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.311  -1.004  -1.299  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.118  -0.127  -0.479  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.936   2.819   0.977  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.136   2.761   0.291  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.380   0.828  -0.903  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.948  -0.073   0.188  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.908  -1.071  -0.075  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.152  -2.310   0.796  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.778  -2.855   0.300  1.00  0.00           C  
HETATM   23  N   UNL     1       2.537   0.543   0.198  1.00  0.00           N  
HETATM   24  N   UNL     1       3.859  -4.057  -0.307  1.00  0.00           N  
HETATM   25  O   UNL     1       5.368  -2.441  -0.090  1.00  0.00           O  
HETATM   26  C   UNL     1       3.488  -0.377   0.073  1.00  0.00           C  
HETATM   27  C   UNL     1       5.153   1.369  -0.044  1.00  0.00           C  
HETATM   28  C   UNL     1       6.410   1.879  -0.104  1.00  0.00           C  
HETATM   29  N   UNL     1       4.939   3.556  -0.103  1.00  0.00           N  
HETATM   30  N   UNL     1       6.301   3.233  -0.141  1.00  0.00           N  
HETATM   31  C   UNL     1       7.412   4.186  -0.210  1.00  0.00           C  
HETATM   32  H   UNL     1       5.513  -0.670   0.006  1.00  0.00           H  
HETATM   33  H   UNL     1       0.500   0.931   0.360  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.207  -4.223   1.087  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.457  -3.779  -0.616  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.579  -0.045   1.272  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.273   0.275  -0.451  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.295   1.728  -1.180  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.015   1.932   1.267  1.00  0.00           H  
HETATM   40  H   UNL     1       3.176   2.366  -0.009  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.771   3.597   1.708  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.904   3.495   0.488  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.553   0.053  -1.635  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.794   0.627   0.842  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.927  -1.351  -1.128  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.175  -2.661   0.661  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.983  -2.057   1.843  1.00  0.00           H  
HETATM   48  H   UNL     1       0.045  -3.555   0.290  1.00  0.00           H  
HETATM   49  H   UNL     1       2.925  -4.314  -0.341  1.00  0.00           H  
HETATM   50  H   UNL     1       4.551  -4.731  -0.398  1.00  0.00           H  
HETATM   51  H   UNL     1       7.329   1.312  -0.119  1.00  0.00           H  
HETATM   52  H   UNL     1       7.651   4.391  -1.253  1.00  0.00           H  
HETATM   53  H   UNL     1       7.126   5.113   0.286  1.00  0.00           H  
HETATM   54  H   UNL     1       8.285   3.762   0.287  1.00  0.00           H  
CONECT    1   26   27   32                                            
CONECT    2    4    5    5                                            
CONECT    3    4    4   23   33                                       
CONECT    4    7    3    3    2                                       
CONECT    5    2    2   26    6                                       
CONECT    6    5   24   25   25                                       
CONECT    7   22   22    9    4                                       
CONECT    8   21   22   34   35                                       
CONECT    9   20    7   36   37                                       
CONECT   10   12   15   18   18                                       
CONECT   11   17   17   18   38                                       
CONECT   12   16   16   10   39                                       
CONECT   13   27   29   29   40                                       
CONECT   14   15   15                                                 
CONECT   15   14   14   10   19                                       
CONECT   16   12   12   17   41                                       
CONECT   17   16   11   11   42                                       
CONECT   18   10   10   11   43                                       
CONECT   19   15   20   44                                            
CONECT   20   21   19    9   45                                       
CONECT   21    8   20   46   47                                       
CONECT   22    8    7    7   48                                       
CONECT   23    3   26   26                                            
CONECT   24    6   49   50                                            
CONECT   25    6    6                                                 
CONECT   26   23   23    5    1                                       
CONECT   27   28   28    1   13                                       
CONECT   28   27   27   30   51                                       
CONECT   29   30   13   13                                            
CONECT   30   28   31   29                                            
CONECT   31   30   52   53   54                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
