COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.555   3.190   0.389  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.922   1.921   0.377  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.056   0.937   0.244  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.278   3.538   0.266  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.632   0.415  -0.036  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.561   1.262  -0.117  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.969   2.503  -0.023  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.318   2.523   0.122  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.759   1.189   0.116  1.00  0.00           C  
HETATM   10  C1* UNL     1      -1.587  -1.048  -0.100  1.00  0.00           C  
HETATM   11  O4* UNL     1      -2.646  -1.547  -0.946  1.00  0.00           O  
HETATM   12  C4* UNL     1      -2.826  -2.926  -0.556  1.00  0.00           C  
HETATM   13  C3* UNL     1      -2.707  -2.920   0.984  1.00  0.00           C  
HETATM   14  C2* UNL     1      -1.873  -1.656   1.291  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.903   4.872   0.280  1.00  0.00           N  
HETATM   16  N   UNL     1       0.753   0.868  -0.273  1.00  0.00           N  
HETATM   17  C   UNL     1       1.816   1.874  -0.346  1.00  0.00           C  
HETATM   18  C   UNL     1       3.146   1.188  -0.517  1.00  0.00           C  
HETATM   19  N   UNL     1       3.786   0.762   0.546  1.00  0.00           N  
HETATM   20  C   UNL     1       4.866   0.398  -1.974  1.00  0.00           C  
HETATM   21  C   UNL     1       3.662   1.017  -1.800  1.00  0.00           C  
HETATM   22  C   UNL     1       5.553  -0.053  -0.830  1.00  0.00           C  
HETATM   23  C   UNL     1       4.968   0.148   0.445  1.00  0.00           C  
HETATM   24  C   UNL     1       5.653  -0.301   1.589  1.00  0.00           C  
HETATM   25  C   UNL     1       6.858  -0.918   1.455  1.00  0.00           C  
HETATM   26  C   UNL     1       7.430  -1.115   0.200  1.00  0.00           C  
HETATM   27  C   UNL     1       6.798  -0.693  -0.930  1.00  0.00           C  
HETATM   28  C5* UNL     1      -4.208  -3.424  -0.984  1.00  0.00           C  
HETATM   29  O5* UNL     1      -4.280  -3.462  -2.411  1.00  0.00           O  
HETATM   30  O3* UNL     1      -2.026  -4.091   1.438  1.00  0.00           O  
HETATM   31  O2* UNL     1      -0.651  -2.009   1.944  1.00  0.00           O  
HETATM   32  H   UNL     1      -5.970   1.682   0.479  1.00  0.00           H  
HETATM   33  H1* UNL     1      -0.617  -1.381  -0.470  1.00  0.00           H  
HETATM   34  H4* UNL     1      -2.047  -3.549  -0.995  1.00  0.00           H  
HETATM   35  H3* UNL     1      -3.693  -2.848   1.443  1.00  0.00           H  
HETATM   36  H2* UNL     1      -2.446  -0.959   1.902  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.575   5.563   0.380  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.967   5.113   0.190  1.00  0.00           H  
HETATM   39  H   UNL     1       0.973  -0.075  -0.335  1.00  0.00           H  
HETATM   40  H   UNL     1       1.635   2.533  -1.196  1.00  0.00           H  
HETATM   41  H   UNL     1       1.824   2.461   0.572  1.00  0.00           H  
HETATM   42  H   UNL     1       5.283   0.260  -2.961  1.00  0.00           H  
HETATM   43  H   UNL     1       3.109   1.375  -2.656  1.00  0.00           H  
HETATM   44  H   UNL     1       5.223  -0.156   2.569  1.00  0.00           H  
HETATM   45  H   UNL     1       7.379  -1.261   2.337  1.00  0.00           H  
HETATM   46  H   UNL     1       8.388  -1.607   0.123  1.00  0.00           H  
HETATM   47  H   UNL     1       7.252  -0.851  -1.897  1.00  0.00           H  
HETATM   48 H5*1 UNL     1      -4.374  -4.424  -0.585  1.00  0.00           H  
HETATM   49 H5*2 UNL     1      -4.973  -2.748  -0.600  1.00  0.00           H  
HETATM   50  H5* UNL     1      -5.131  -3.770  -2.753  1.00  0.00           H  
HETATM   51  H3* UNL     1      -2.477  -4.918   1.217  1.00  0.00           H  
HETATM   52  H2* UNL     1      -0.774  -2.450   2.796  1.00  0.00           H  
CONECT    1    2    2    4                                            
CONECT    2    1    1    3   32                                       
CONECT    3    2    9    9                                            
CONECT    4    1    8    8   15                                       
CONECT    5   10    6    9                                            
CONECT    6    5   16    7    7                                       
CONECT    7    6    6    8                                            
CONECT    8    4    4    7    9                                       
CONECT    9    3    3    5    8                                       
CONECT   10    5   14   11   33                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   28   34                                       
CONECT   13   12   30   14   35                                       
CONECT   14   10   13   31   36                                       
CONECT   15    4   37   38                                            
CONECT   16    6   17   39                                            
CONECT   17   16   18   40   41                                       
CONECT   18   17   21   21   19                                       
CONECT   19   18   23   23                                            
CONECT   20   22   22   21   42                                       
CONECT   21   18   18   20   43                                       
CONECT   22   20   20   27   23                                       
CONECT   23   19   19   22   24                                       
CONECT   24   23   25   25   44                                       
CONECT   25   24   24   26   45                                       
CONECT   26   25   27   27   46                                       
CONECT   27   22   26   26   47                                       
CONECT   28   12   29   48   49                                       
CONECT   29   28   50                                                 
CONECT   30   13   51                                                 
CONECT   31   14   52                                                 
CONECT   32    2                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
