COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.882   2.096   0.910  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.660   3.356   1.432  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.723   4.190   0.852  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.008   3.764  -0.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.229   2.503  -0.774  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.161   1.667  -0.190  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.402   0.293  -0.759  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.461  -0.710  -0.088  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.785  -2.101  -0.567  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.944  -2.755  -1.138  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.008  -2.615  -0.359  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.249  -3.961  -0.848  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.075  -0.385  -0.433  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.071  -0.760   0.384  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.316  -1.367   1.406  1.00  0.00           O  
HETATM   16  C   UNL     1       0.354  -0.426   0.029  1.00  0.00           C  
HETATM   17  C   UNL     1       1.289  -0.962   1.115  1.00  0.00           C  
HETATM   18  C   UNL     1       2.715  -0.627   0.761  1.00  0.00           C  
HETATM   19  N   UNL     1       2.940   0.023  -0.340  1.00  0.00           N  
HETATM   20  C   UNL     1       4.197   0.359  -0.724  1.00  0.00           C  
HETATM   21  C   UNL     1       4.438   1.059  -1.909  1.00  0.00           C  
HETATM   22  C   UNL     1       5.731   1.378  -2.260  1.00  0.00           C  
HETATM   23  C   UNL     1       6.799   1.014  -1.450  1.00  0.00           C  
HETATM   24  C   UNL     1       6.586   0.323  -0.278  1.00  0.00           C  
HETATM   25  C   UNL     1       5.285  -0.010   0.096  1.00  0.00           C  
HETATM   26  C   UNL     1       4.997  -0.746   1.336  1.00  0.00           C  
HETATM   27  O   UNL     1       5.889  -1.094   2.087  1.00  0.00           O  
HETATM   28  N   UNL     1       3.700  -1.018   1.612  1.00  0.00           N  
HETATM   29  H   UNL     1      -5.614   1.444   1.363  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.220   3.689   2.294  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.551   5.175   1.260  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.279   4.418  -0.708  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.670   2.170  -1.636  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.436   0.000  -0.576  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.213   0.306  -1.833  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.588  -0.659   0.993  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.273  -4.254  -0.615  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.099  -3.988  -1.927  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.556  -4.651  -0.367  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.880   0.101  -1.250  1.00  0.00           H  
HETATM   41  H   UNL     1       0.608  -0.884  -0.927  1.00  0.00           H  
HETATM   42  H   UNL     1       0.466   0.656  -0.045  1.00  0.00           H  
HETATM   43  H   UNL     1       1.036  -0.503   2.072  1.00  0.00           H  
HETATM   44  H   UNL     1       1.178  -2.043   1.190  1.00  0.00           H  
HETATM   45  H   UNL     1       3.616   1.347  -2.546  1.00  0.00           H  
HETATM   46  H   UNL     1       5.916   1.919  -3.176  1.00  0.00           H  
HETATM   47  H   UNL     1       7.805   1.274  -1.743  1.00  0.00           H  
HETATM   48  H   UNL     1       7.420   0.042   0.347  1.00  0.00           H  
HETATM   49  H   UNL     1       3.472  -1.502   2.421  1.00  0.00           H  
CONECT    1    6    6    2   29                                       
CONECT    2    3    3    1   30                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    5    3   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    1    1                                       
CONECT    7    6    8   34   35                                       
CONECT    8   13    7    9   36                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   37   38   39                                       
CONECT   13   14    8   40                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   28   19   19   17                                       
CONECT   19   20   18   18                                            
CONECT   20   25   25   21   19                                       
CONECT   21   22   22   20   45                                       
CONECT   22   23   21   21   46                                       
CONECT   23   24   24   22   47                                       
CONECT   24   23   23   25   48                                       
CONECT   25   24   26   20   20                                       
CONECT   26   27   27   25   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   18   49                                            
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
