COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.615  -0.017   0.168  1.00  0.00           N  
HETATM    2  C   UNL     1       5.800   0.582  -0.461  1.00  0.00           C  
HETATM    3  C   UNL     1       6.219  -0.288  -1.651  1.00  0.00           C  
HETATM    4  C   UNL     1       6.419  -1.730  -1.178  1.00  0.00           C  
HETATM    5  C   UNL     1       5.101  -2.273  -0.622  1.00  0.00           C  
HETATM    6  C   UNL     1       4.671  -1.425   0.584  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.758   1.556  -0.636  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.570  -0.729  -0.116  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.325   0.374  -0.483  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.270  -0.610   0.085  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.689   0.572  -0.064  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.454   1.695  -0.437  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.598   2.770  -0.516  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.332   2.391  -0.214  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.305   1.058   0.074  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.127   0.263   0.450  1.00  0.00           C  
HETATM   17  N   UNL     1       1.083   0.851   0.536  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.244  -0.925   0.682  1.00  0.00           O  
HETATM   19  C   UNL     1       2.257   0.058   0.911  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.235  -2.071   0.052  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.669  -2.086   0.584  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.395  -2.408  -0.886  1.00  0.00           C  
HETATM   23  C   UNL     1       3.500   0.714   0.366  1.00  0.00           C  
HETATM   24  C   UNL     1       2.351  -0.025   2.435  1.00  0.00           C  
HETATM   25  O   UNL     1       3.496   1.898   0.105  1.00  0.00           O  
HETATM   26  H   UNL     1       5.560   1.587  -0.810  1.00  0.00           H  
HETATM   27  H   UNL     1       6.614   0.628   0.262  1.00  0.00           H  
HETATM   28  H   UNL     1       5.441  -0.260  -2.414  1.00  0.00           H  
HETATM   29  H   UNL     1       7.152   0.091  -2.068  1.00  0.00           H  
HETATM   30  H   UNL     1       6.741  -2.346  -2.018  1.00  0.00           H  
HETATM   31  H   UNL     1       7.180  -1.753  -0.398  1.00  0.00           H  
HETATM   32  H   UNL     1       4.333  -2.227  -1.395  1.00  0.00           H  
HETATM   33  H   UNL     1       5.238  -3.308  -0.308  1.00  0.00           H  
HETATM   34  H   UNL     1       5.395  -1.539   1.391  1.00  0.00           H  
HETATM   35  H   UNL     1       3.687  -1.745   0.926  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.387   0.265  -0.645  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.863   3.672  -0.754  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.474   3.047  -0.204  1.00  0.00           H  
HETATM   39  H   UNL     1       1.176   1.798   0.351  1.00  0.00           H  
HETATM   40  H   UNL     1       2.164  -0.946   0.497  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.578  -2.887   0.353  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.956  -2.912   1.235  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.132  -1.126   0.812  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.678  -1.658  -1.626  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.502  -3.445  -1.203  1.00  0.00           H  
HETATM   46  H   UNL     1       1.472  -0.538   2.826  1.00  0.00           H  
HETATM   47  H   UNL     1       3.248  -0.578   2.714  1.00  0.00           H  
HETATM   48  H   UNL     1       2.400   0.981   2.852  1.00  0.00           H  
CONECT    1    2   23    6                                            
CONECT    2    1    3   26   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4    3    5   30   31                                       
CONECT    5    6    4   32   33                                       
CONECT    6    1    5   34   35                                       
CONECT    7   12   12    9                                            
CONECT    8   10   20    9    9                                       
CONECT    9    8    8    7   36                                       
CONECT   10   11   11    8                                            
CONECT   11   15   10   10   12                                       
CONECT   12   11   13    7    7                                       
CONECT   13   14   12   37                                            
CONECT   14   15   15   13   38                                       
CONECT   15   16   11   14   14                                       
CONECT   16   17   18   18   15                                       
CONECT   17   19   16   39                                            
CONECT   18   16   16                                                 
CONECT   19   24   17   23   40                                       
CONECT   20   21   22    8   41                                       
CONECT   21   20   22   42   43                                       
CONECT   22   21   20   44   45                                       
CONECT   23   19    1   25   25                                       
CONECT   24   19   46   47   48                                       
CONECT   25   23   23                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
