COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.101  -0.486   0.599  1.00  0.00           C  
HETATM    2  C   UNL     1       2.176   0.562  -0.025  1.00  0.00           C  
HETATM    3  C   UNL     1       0.731   0.057   0.037  1.00  0.00           C  
HETATM    4  C   UNL     1       0.670  -1.334  -0.605  1.00  0.00           C  
HETATM    5  C   UNL     1       1.708  -2.239   0.063  1.00  0.00           C  
HETATM    6  C   UNL     1       1.632  -3.638  -0.552  1.00  0.00           C  
HETATM    7  C   UNL     1       3.266   2.696   0.418  1.00  0.00           C  
HETATM    8  C   UNL     1       3.381   3.989   1.183  1.00  0.00           C  
HETATM    9  N   UNL     1       2.288   1.819   0.719  1.00  0.00           N  
HETATM   10  O   UNL     1       4.447  -0.009   0.570  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.128   0.951  -0.674  1.00  0.00           O  
HETATM   12  O   UNL     1       0.955  -1.229  -2.001  1.00  0.00           O  
HETATM   13  O   UNL     1       3.015  -1.704  -0.138  1.00  0.00           O  
HETATM   14  O   UNL     1       2.512  -4.517   0.152  1.00  0.00           O  
HETATM   15  O   UNL     1       4.053   2.445  -0.470  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.412   0.872  -0.052  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.354   1.902  -0.691  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.640   1.929   0.147  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.012   0.508   0.484  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.186  -0.502   0.287  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.668  -1.839   0.677  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.743   3.193  -0.686  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.693   2.539  -0.602  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.949  -0.433  -0.234  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.778  -1.969   1.155  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.878  -2.917   0.504  1.00  0.00           O  
HETATM   27  H   UNL     1       2.801  -0.665   1.631  1.00  0.00           H  
HETATM   28  H   UNL     1       2.461   0.728  -1.064  1.00  0.00           H  
HETATM   29  H   UNL     1       0.412  -0.007   1.077  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.325  -1.757  -0.466  1.00  0.00           H  
HETATM   31  H   UNL     1       1.502  -2.301   1.131  1.00  0.00           H  
HETATM   32  H   UNL     1       0.611  -4.012  -0.478  1.00  0.00           H  
HETATM   33  H   UNL     1       1.927  -3.592  -1.600  1.00  0.00           H  
HETATM   34  H   UNL     1       4.224   4.564   0.801  1.00  0.00           H  
HETATM   35  H   UNL     1       2.464   4.566   1.063  1.00  0.00           H  
HETATM   36  H   UNL     1       3.538   3.773   2.240  1.00  0.00           H  
HETATM   37  H   UNL     1       1.658   2.020   1.429  1.00  0.00           H  
HETATM   38  H   UNL     1       4.996  -0.696   0.971  1.00  0.00           H  
HETATM   39  H   UNL     1       0.912  -2.125  -2.363  1.00  0.00           H  
HETATM   40  H   UNL     1       2.434  -5.385  -0.266  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.314   1.081   1.013  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.585   1.605  -1.714  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.468   2.492   1.065  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.385   3.808  -1.068  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.483   2.516  -0.044  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.195  -3.794   0.760  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.988   0.310   0.901  1.00  0.00           H  
CONECT    1    2   10   13   27                                       
CONECT    2    9    1    3   28                                       
CONECT    3    2    4   11   29                                       
CONECT    4    5   12    3   30                                       
CONECT    5   13    6    4   31                                       
CONECT    6    5   14   32   33                                       
CONECT    7    8   15   15    9                                       
CONECT    8    7   34   35   36                                       
CONECT    9    7    2   37                                            
CONECT   10    1   38                                                 
CONECT   11    3   16                                                 
CONECT   12    4   39                                                 
CONECT   13    1    5                                                 
CONECT   14    6   40                                                 
CONECT   15    7    7                                                 
CONECT   16   11   24   17   41                                       
CONECT   17   16   18   22   42                                       
CONECT   18   19   23   17   43                                       
CONECT   19   20   20   18   47                                       
CONECT   20   24   21   19   19                                       
CONECT   21   20   26   25   25                                       
CONECT   22   17   44                                                 
CONECT   23   18   45                                                 
CONECT   24   16   20                                                 
CONECT   25   21   21                                                 
CONECT   26   21   46                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   19                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
