COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.866   0.391  -1.077  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.054  -0.159  -1.674  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.625  -1.128  -0.615  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.038  -0.644   0.618  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.722  -0.221   0.212  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.795  -1.431   0.119  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.387  -0.962  -0.259  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.170   0.789   1.216  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.750   1.188   0.803  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.902  -0.009   0.748  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.577   0.331   0.513  1.00  0.00           C  
HETATM   12  C   UNL     1       0.385  -0.686   0.429  1.00  0.00           C  
HETATM   13  C   UNL     1       1.707  -0.345   0.194  1.00  0.00           C  
HETATM   14  C   UNL     1       2.032   1.023   0.049  1.00  0.00           C  
HETATM   15  C   UNL     1       2.756  -1.376   0.097  1.00  0.00           C  
HETATM   16  C   UNL     1       2.440  -2.726   0.240  1.00  0.00           C  
HETATM   17  C   UNL     1       3.434  -3.679   0.146  1.00  0.00           C  
HETATM   18  C   UNL     1       4.748  -3.306  -0.088  1.00  0.00           C  
HETATM   19  C   UNL     1       5.082  -1.975  -0.232  1.00  0.00           C  
HETATM   20  C   UNL     1       4.091  -0.997  -0.142  1.00  0.00           C  
HETATM   21  C   UNL     1       4.431   0.430  -0.293  1.00  0.00           C  
HETATM   22  O   UNL     1       5.581   0.772  -0.496  1.00  0.00           O  
HETATM   23  C   UNL     1       3.360   1.437  -0.186  1.00  0.00           C  
HETATM   24  C   UNL     1       3.640   2.791  -0.322  1.00  0.00           C  
HETATM   25  C   UNL     1       2.622   3.730  -0.217  1.00  0.00           C  
HETATM   26  C   UNL     1       1.333   3.352   0.018  1.00  0.00           C  
HETATM   27  C   UNL     1       1.005   1.989   0.148  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.255   1.600   0.370  1.00  0.00           N  
HETATM   29  H   UNL     1      -6.772   0.633  -1.889  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.803  -0.701  -2.586  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.712  -1.060  -0.577  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.311  -2.152  -0.820  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.762  -1.940   1.083  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.167  -2.117  -0.642  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.717  -1.820  -0.300  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.416  -0.476  -1.234  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.807   1.673   1.230  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.148   0.340   2.209  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.777   1.659  -0.179  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.344   1.889   1.532  1.00  0.00           H  
HETATM   41  H   UNL     1       0.099  -1.721   0.545  1.00  0.00           H  
HETATM   42  H   UNL     1       1.419  -3.025   0.423  1.00  0.00           H  
HETATM   43  H   UNL     1       3.185  -4.724   0.257  1.00  0.00           H  
HETATM   44  H   UNL     1       5.516  -4.062  -0.158  1.00  0.00           H  
HETATM   45  H   UNL     1       6.108  -1.691  -0.416  1.00  0.00           H  
HETATM   46  H   UNL     1       4.654   3.115  -0.509  1.00  0.00           H  
HETATM   47  H   UNL     1       2.855   4.779  -0.325  1.00  0.00           H  
HETATM   48  H   UNL     1       0.559   4.101   0.096  1.00  0.00           H  
CONECT    1    5    2                                                 
CONECT    2    1    3   29   30                                       
CONECT    3    4    2   31   32                                       
CONECT    4    5    3                                                 
CONECT    5    8    6    1    4                                       
CONECT    6    7    5   33   34                                       
CONECT    7   10    6   35   36                                       
CONECT    8    9    5   37   38                                       
CONECT    9   10    8   39   40                                       
CONECT   10   11    9    7                                            
CONECT   11   28   28   12   10                                       
CONECT   12   13   13   11   41                                       
CONECT   13   14   15   12   12                                       
CONECT   14   23   27   27   13                                       
CONECT   15   20   20   13   16                                       
CONECT   16   15   17   17   42                                       
CONECT   17   18   16   16   43                                       
CONECT   18   19   19   17   44                                       
CONECT   19   20   18   18   45                                       
CONECT   20   21   19   15   15                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   24   21   14                                       
CONECT   24   25   23   23   46                                       
CONECT   25   24   26   26   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   14   14   28                                       
CONECT   28   27   11   11                                            
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
