COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.393  -4.070   4.542  1.00  0.00           C  
HETATM    2  O   UNL     1       5.386  -4.660   4.935  1.00  0.00           O  
HETATM    3  C   UNL     1       7.257  -3.356   5.534  1.00  0.00           C  
HETATM    4  O   UNL     1       7.413  -4.295   7.689  1.00  0.00           O  
HETATM    5  C   UNL     1       6.955  -3.411   6.973  1.00  0.00           C  
HETATM    6  N   UNL     1       6.134  -2.395   7.393  1.00  0.00           N  
HETATM    7  C   UNL     1       8.332  -2.662   5.119  1.00  0.00           C  
HETATM    8  O   UNL     1       9.153  -2.008   6.025  1.00  0.00           O  
HETATM    9  C   UNL     1       8.727  -2.492   3.668  1.00  0.00           C  
HETATM   10  N   UNL     1       9.913  -3.313   3.382  1.00  0.00           N  
HETATM   11  C   UNL     1      11.026  -2.900   4.232  1.00  0.00           C  
HETATM   12  C   UNL     1      10.270  -3.204   1.971  1.00  0.00           C  
HETATM   13  C   UNL     1       7.556  -2.799   2.688  1.00  0.00           C  
HETATM   14  C   UNL     1       6.564  -1.611   2.602  1.00  0.00           C  
HETATM   15  O   UNL     1       7.306  -0.512   2.054  1.00  0.00           O  
HETATM   16  C   UNL     1       5.327  -1.881   1.702  1.00  0.00           C  
HETATM   17  C   UNL     1       4.029  -1.152   2.188  1.00  0.00           C  
HETATM   18  C   UNL     1       4.259   0.341   2.478  1.00  0.00           C  
HETATM   19  C   UNL     1       2.890  -1.400   1.193  1.00  0.00           C  
HETATM   20  C   UNL     1       1.837  -0.484   1.018  1.00  0.00           C  
HETATM   21  C   UNL     1       0.796  -0.729   0.118  1.00  0.00           C  
HETATM   22  C   UNL     1       0.777  -1.904  -0.621  1.00  0.00           C  
HETATM   23  C   UNL     1       1.792  -2.841  -0.453  1.00  0.00           C  
HETATM   24  O   UNL     1       1.705  -3.978  -1.202  1.00  0.00           O  
HETATM   25  C   UNL     1       2.838  -2.597   0.452  1.00  0.00           C  
HETATM   26  C   UNL     1       3.866  -3.650   0.621  1.00  0.00           C  
HETATM   27  O   UNL     1       3.788  -4.707   0.007  1.00  0.00           O  
HETATM   28  C   UNL     1       4.993  -3.348   1.550  1.00  0.00           C  
HETATM   29  C   UNL     1       5.641  -4.348   2.179  1.00  0.00           C  
HETATM   30  O   UNL     1       5.298  -5.685   2.073  1.00  0.00           O  
HETATM   31  C   UNL     1       6.830  -4.098   3.073  1.00  0.00           C  
HETATM   32  O   UNL     1       7.747  -5.187   2.968  1.00  0.00           O  
HETATM   33  H   UNL     1       1.704  -4.757  -0.625  1.00  0.00           H  
HETATM   34  H   UNL     1       4.860  -5.839   1.232  1.00  0.00           H  
HETATM   35  H   UNL     1       7.505  -5.817   3.663  1.00  0.00           H  
HETATM   36  H   UNL     1       5.873  -2.355   8.373  1.00  0.00           H  
HETATM   37  H   UNL     1       5.775  -1.682   6.765  1.00  0.00           H  
HETATM   38  H   UNL     1       8.615  -1.498   6.634  1.00  0.00           H  
HETATM   39  H   UNL     1       9.042  -1.452   3.526  1.00  0.00           H  
HETATM   40  H   UNL     1      10.730  -2.938   5.283  1.00  0.00           H  
HETATM   41  H   UNL     1      11.329  -1.879   3.988  1.00  0.00           H  
HETATM   42  H   UNL     1      11.881  -3.565   4.083  1.00  0.00           H  
HETATM   43  H   UNL     1      10.951  -4.013   1.693  1.00  0.00           H  
HETATM   44  H   UNL     1      10.763  -2.247   1.779  1.00  0.00           H  
HETATM   45  H   UNL     1       9.374  -3.268   1.349  1.00  0.00           H  
HETATM   46  H   UNL     1       8.009  -2.920   1.691  1.00  0.00           H  
HETATM   47  H   UNL     1       6.241  -1.311   3.605  1.00  0.00           H  
HETATM   48  H   UNL     1       7.864  -0.885   1.355  1.00  0.00           H  
HETATM   49  H   UNL     1       5.569  -1.499   0.698  1.00  0.00           H  
HETATM   50  H   UNL     1       3.710  -1.604   3.138  1.00  0.00           H  
HETATM   51  H   UNL     1       1.811   0.442   1.588  1.00  0.00           H  
HETATM   52  H   UNL     1       0.001   0.001  -0.001  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.029  -2.099  -1.322  1.00  0.00           H  
HETATM   54  H   UNL     1       5.144   0.479   3.107  1.00  0.00           H  
HETATM   55  H   UNL     1       4.410   0.895   1.547  1.00  0.00           H  
HETATM   56  H   UNL     1       3.397   0.769   2.998  1.00  0.00           H  
CONECT    1   31    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    5    7    7                                       
CONECT    4    5    5                                                 
CONECT    5    3    4    4    6                                       
CONECT    6    5   36   37                                            
CONECT    7    3    3    8    9                                       
CONECT    8    7   38                                                 
CONECT    9    7   39   10   13                                       
CONECT   10    9   11   12                                            
CONECT   11   10   40   41   42                                       
CONECT   12   10   43   44   45                                       
CONECT   13    9   31   46   14                                       
CONECT   14   13   47   15   16                                       
CONECT   15   14   48                                                 
CONECT   16   14   28   49   17                                       
CONECT   17   16   50   19   18                                       
CONECT   18   17   54   55   56                                       
CONECT   19   17   25   20   20                                       
CONECT   20   19   19   51   21                                       
CONECT   21   20   52   22   22                                       
CONECT   22   21   21   23   53                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   33                                                 
CONECT   25   19   23   23   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   16   26   29   29                                       
CONECT   29   28   28   30   31                                       
CONECT   30   29   34                                                 
CONECT   31    1   13   29   32                                       
CONECT   32   31   35                                                 
CONECT   33   24                                                      
CONECT   34   30                                                      
CONECT   35   32                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
