COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.894  -1.376  -1.518  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.201  -2.526  -2.221  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.864  -3.564  -1.594  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.220  -3.452  -0.262  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.912  -2.303   0.441  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.244  -1.267  -0.185  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.909  -0.014   0.582  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.655  -0.210   1.314  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.529  -0.640   2.608  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.210  -0.678   2.878  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.550  -0.282   1.780  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.409  -0.006   0.837  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.067   0.472  -0.551  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.905   1.928  -0.540  1.00  0.00           N1+
HETATM   15  C   UNL     1      -1.936   2.689  -0.833  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.827   4.072  -0.834  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.614   4.659  -0.522  1.00  0.00           C  
HETATM   18  C   UNL     1       0.464   3.832  -0.215  1.00  0.00           C  
HETATM   19  O   UNL     1       1.673   4.363   0.097  1.00  0.00           O  
HETATM   20  C   UNL     1       0.279   2.445  -0.229  1.00  0.00           C  
HETATM   21  C   UNL     1       1.408   1.550   0.099  1.00  0.00           C  
HETATM   22  O   UNL     1       1.678   1.312   1.260  1.00  0.00           O  
HETATM   23  N   UNL     1       2.138   0.997  -0.889  1.00  0.00           N  
HETATM   24  C   UNL     1       3.115   0.043  -0.587  1.00  0.00           C  
HETATM   25  C   UNL     1       2.924  -0.837   0.472  1.00  0.00           C  
HETATM   26  C   UNL     1       3.891  -1.778   0.767  1.00  0.00           C  
HETATM   27  C   UNL     1       4.275  -0.032  -1.347  1.00  0.00           C  
HETATM   28  C   UNL     1       5.237  -0.975  -1.046  1.00  0.00           C  
HETATM   29  C   UNL     1       5.047  -1.846   0.012  1.00  0.00           C  
HETATM   30  C   UNL     1       6.099  -2.874   0.338  1.00  0.00           C  
HETATM   31  N   UNL     1       5.829  -4.107  -0.413  1.00  0.00           N  
HETATM   32  H   UNL     1      -3.377  -0.565  -2.008  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.924  -2.613  -3.261  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.104  -4.462  -2.143  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.741  -4.262   0.227  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.190  -2.216   1.481  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.798   0.819  -0.112  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.711   0.206   1.287  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.332  -0.898   3.282  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.763  -0.971   3.816  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.137   0.005  -0.877  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.869   0.201  -1.237  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.882   2.230  -1.076  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.682   4.685  -1.077  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.505   5.734  -0.517  1.00  0.00           H  
HETATM   46  H   UNL     1       1.824   4.466   1.046  1.00  0.00           H  
HETATM   47  H   UNL     1       1.987   1.260  -1.810  1.00  0.00           H  
HETATM   48  H   UNL     1       2.022  -0.784   1.062  1.00  0.00           H  
HETATM   49  H   UNL     1       3.743  -2.463   1.590  1.00  0.00           H  
HETATM   50  H   UNL     1       4.424   0.648  -2.173  1.00  0.00           H  
HETATM   51  H   UNL     1       6.139  -1.034  -1.637  1.00  0.00           H  
HETATM   52  H   UNL     1       7.081  -2.489   0.063  1.00  0.00           H  
HETATM   53  H   UNL     1       6.080  -3.087   1.407  1.00  0.00           H  
HETATM   54  H   UNL     1       5.778  -3.923  -1.404  1.00  0.00           H  
HETATM   55  H   UNL     1       6.521  -4.812  -0.211  1.00  0.00           H  
CONECT    1    6    6    2   32                                       
CONECT    2    3    3    1   33                                       
CONECT    3    4    2    2   34                                       
CONECT    4    5    5    3   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    1    1                                       
CONECT    7    8    6   37   38                                       
CONECT    8    9   12    7                                            
CONECT    9   10   10    8   39                                       
CONECT   10   11    9    9   40                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11    8   13                                       
CONECT   13   12   14   41   42                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   20   17   17   19                                       
CONECT   19   18   46                                                 
CONECT   20   14   14   21   18                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   47                                            
CONECT   24   23   27   27   25                                       
CONECT   25   24   26   26   48                                       
CONECT   26   25   25   29   49                                       
CONECT   27   24   24   28   50                                       
CONECT   28   27   29   29   51                                       
CONECT   29   28   28   26   30                                       
CONECT   30   29   31   52   53                                       
CONECT   31   30   54   55                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
