COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.101   0.008  -0.607  1.00  0.00           O  
HETATM    2  C   UNL     1       0.202  -1.014   0.345  1.00  0.00           C  
HETATM    3  C   UNL     1       1.529  -1.679  -0.026  1.00  0.00           C  
HETATM    4  O   UNL     1       2.588  -0.728   0.091  1.00  0.00           O  
HETATM    5  C   UNL     1       3.842  -1.160  -0.205  1.00  0.00           C  
HETATM    6  C   UNL     1       4.050  -2.471  -0.599  1.00  0.00           C  
HETATM    7  C   UNL     1       5.328  -2.912  -0.900  1.00  0.00           C  
HETATM    8  C   UNL     1       6.406  -2.056  -0.813  1.00  0.00           C  
HETATM    9  C   UNL     1       6.219  -0.734  -0.419  1.00  0.00           C  
HETATM   10  C   UNL     1       4.926  -0.283  -0.119  1.00  0.00           C  
HETATM   11  C   UNL     1       5.053   1.138   0.251  1.00  0.00           C  
HETATM   12  C   UNL     1       4.138   2.110   0.647  1.00  0.00           C  
HETATM   13  C   UNL     1       4.575   3.386   0.933  1.00  0.00           C  
HETATM   14  C   UNL     1       5.920   3.702   0.828  1.00  0.00           C  
HETATM   15  C   UNL     1       6.837   2.749   0.438  1.00  0.00           C  
HETATM   16  C   UNL     1       6.415   1.456   0.145  1.00  0.00           C  
HETATM   17  N   UNL     1       7.099   0.319  -0.249  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.913  -2.061   0.341  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.187  -1.422   0.697  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.283  -2.400   0.703  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.590  -1.699   1.077  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.932  -0.754   0.061  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.075  -0.041   0.241  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.851  -0.244   1.371  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.012   0.482   1.553  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.404   1.413   0.608  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.635   1.622  -0.521  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.466   0.901  -0.707  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.705   1.109  -1.815  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.168   2.090  -2.744  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.187  -0.314  -1.515  1.00  0.00           H  
HETATM   32  H   UNL     1       0.282  -0.572   1.338  1.00  0.00           H  
HETATM   33  H   UNL     1       1.716  -2.516   0.647  1.00  0.00           H  
HETATM   34  H   UNL     1       1.479  -2.043  -1.052  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.993  -2.503  -0.653  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.682  -2.841   1.067  1.00  0.00           H  
HETATM   37  H   UNL     1       3.214  -3.151  -0.671  1.00  0.00           H  
HETATM   38  H   UNL     1       5.482  -3.936  -1.207  1.00  0.00           H  
HETATM   39  H   UNL     1       7.397  -2.413  -1.050  1.00  0.00           H  
HETATM   40  H   UNL     1       3.089   1.866   0.728  1.00  0.00           H  
HETATM   41  H   UNL     1       3.867   4.141   1.239  1.00  0.00           H  
HETATM   42  H   UNL     1       6.254   4.705   1.054  1.00  0.00           H  
HETATM   43  H   UNL     1       7.883   3.006   0.360  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.118  -0.950   1.586  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.379  -2.844  -0.288  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.068  -3.182   1.432  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.386  -2.438   1.169  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.465  -1.180   2.028  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.547  -0.971   2.110  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.616   0.322   2.434  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.312   1.979   0.753  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.943   2.350  -1.257  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.153   1.805  -3.114  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.233   3.059  -2.248  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.471   2.156  -3.580  1.00  0.00           H  
HETATM   56  H   UNL     1       8.057   0.271  -0.396  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3   18   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7    9    9   39                                       
CONECT    9    8    8   10   17                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   40                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   16   16   43                                       
CONECT   16   11   15   15   17                                       
CONECT   17    9   16   56                                            
CONECT   18    2   19   35   36                                       
CONECT   19   18   20   44                                            
CONECT   20   19   21   45   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26   50                                       
CONECT   26   25   27   27   51                                       
CONECT   27   26   26   28   52                                       
CONECT   28   23   23   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   53   54   55                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   17                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
