COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.234   0.599  -0.338  1.00  0.00           C  
HETATM    2  O2* UNL     1       3.914  -2.441  -0.327  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.911   0.909   0.827  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.190   0.428   1.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.793  -0.363   0.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.117  -0.673  -1.093  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.840  -0.187  -1.301  1.00  0.00           C  
HETATM    8  O5* UNL     1       6.884   2.502   0.666  1.00  0.00           O  
HETATM    9  O4* UNL     1       4.409   0.985   0.417  1.00  0.00           O  
HETATM   10  O3* UNL     1       6.363  -1.793  -0.586  1.00  0.00           O  
HETATM   11  C   UNL     1       1.001  -0.419   0.463  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.502  -1.992   1.201  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.375  -0.107   0.195  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.823   0.122  -0.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.839   1.123  -0.562  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.467   0.632  -0.225  1.00  0.00           N  
HETATM   17  N   UNL     1       2.143   0.276   0.156  1.00  0.00           N  
HETATM   18  C3* UNL     1       5.517  -0.674  -0.860  1.00  0.00           C  
HETATM   19  N   UNL     1       0.467   1.494  -0.532  1.00  0.00           N  
HETATM   20  C2* UNL     1       4.031  -1.067  -0.703  1.00  0.00           C  
HETATM   21  N   UNL     1       0.739  -1.584   1.045  1.00  0.00           N  
HETATM   22  C4* UNL     1       5.726   0.434   0.196  1.00  0.00           C  
HETATM   23  C5* UNL     1       6.671   1.510  -0.340  1.00  0.00           C  
HETATM   24  C1* UNL     1       3.518  -0.151   0.429  1.00  0.00           C  
HETATM   25  C   UNL     1       1.765   1.438  -0.450  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.068   0.373   0.009  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.539  -1.281   0.797  1.00  0.00           N  
HETATM   28  H2* UNL     1       4.222  -3.061  -1.002  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.439   1.527   1.577  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.719   0.670   1.942  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.793  -0.739   0.233  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.588  -1.291  -1.843  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.311  -0.429  -2.211  1.00  0.00           H  
HETATM   34  H5* UNL     1       7.475   3.218   0.394  1.00  0.00           H  
HETATM   35  H3* UNL     1       7.307  -1.587  -0.611  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.680  -2.945   1.679  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.993  -0.015   1.060  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.939  -0.833  -0.520  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.669   1.260  -1.630  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.724   2.079  -0.050  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.335   1.487  -0.664  1.00  0.00           H  
HETATM   42  H3* UNL     1       5.709  -0.288  -1.861  1.00  0.00           H  
HETATM   43  H2* UNL     1       3.484  -0.877  -1.627  1.00  0.00           H  
HETATM   44  H4* UNL     1       6.119   0.009   1.120  1.00  0.00           H  
HETATM   45 H5*1 UNL     1       6.229   1.976  -1.222  1.00  0.00           H  
HETATM   46 H5*2 UNL     1       7.624   1.056  -0.610  1.00  0.00           H  
HETATM   47  H1* UNL     1       3.570  -0.666   1.388  1.00  0.00           H  
HETATM   48  H   UNL     1       2.442   2.200  -0.805  1.00  0.00           H  
CONECT    1    7    7    3   15                                       
CONECT    2   20   28                                                 
CONECT    3    4    4    1   29                                       
CONECT    4    5    3    3   30                                       
CONECT    5    6    6    4   31                                       
CONECT    6    5    5    7   32                                       
CONECT    7    6    1    1   33                                       
CONECT    8   23   34                                                 
CONECT    9   24   22                                                 
CONECT   10   18   35                                                 
CONECT   11   26   17   21   21                                       
CONECT   12   27   27   21   36                                       
CONECT   13   16   26   26   27                                       
CONECT   14   15   16   37   38                                       
CONECT   15    1   14   39   40                                       
CONECT   16   14   13   41                                            
CONECT   17   25   11   24                                            
CONECT   18   20   22   10   42                                       
CONECT   19   25   25   26                                            
CONECT   20    2   24   18   43                                       
CONECT   21   11   11   12                                            
CONECT   22   18   23    9   44                                       
CONECT   23   22    8   45   46                                       
CONECT   24   17   20    9   47                                       
CONECT   25   19   19   17   48                                       
CONECT   26   19   13   13   11                                       
CONECT   27   13   12   12                                            
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
