COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.299  -0.353   0.015  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.919  -1.415  -0.817  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.611  -1.599  -1.157  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.633  -0.729  -0.681  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.002   0.344   0.156  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.340   0.528   0.502  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.721  -0.168   0.373  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.641  -1.011  -0.094  1.00  0.00           N  
HETATM    9  N   UNL     1      -7.084   0.841   1.163  1.00  0.00           N1+
HETATM   10  N   UNL     1      -1.270  -0.667  -0.851  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.765   1.053   0.483  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.759   0.404  -0.154  1.00  0.00           C  
HETATM   13  C   UNL     1       0.668   0.785  -0.103  1.00  0.00           C  
HETATM   14  C   UNL     1       1.035   2.130  -0.150  1.00  0.00           C  
HETATM   15  C   UNL     1       2.372   2.488  -0.101  1.00  0.00           C  
HETATM   16  O   UNL     1       2.724   3.801  -0.147  1.00  0.00           O  
HETATM   17  C   UNL     1       4.151   3.848  -0.078  1.00  0.00           C  
HETATM   18  C   UNL     1       3.353   1.514  -0.010  1.00  0.00           C  
HETATM   19  C   UNL     1       3.000   0.167   0.043  1.00  0.00           C  
HETATM   20  C   UNL     1       1.654  -0.202  -0.006  1.00  0.00           C  
HETATM   21  O   UNL     1       1.304  -1.513   0.041  1.00  0.00           O1-
HETATM   22  C   UNL     1       4.051  -0.874   0.147  1.00  0.00           C  
HETATM   23  C   UNL     1       5.138  -0.860  -0.726  1.00  0.00           C  
HETATM   24  C   UNL     1       6.114  -1.830  -0.624  1.00  0.00           C  
HETATM   25  C   UNL     1       6.015  -2.816   0.341  1.00  0.00           C  
HETATM   26  C   UNL     1       4.939  -2.836   1.209  1.00  0.00           C  
HETATM   27  C   UNL     1       3.959  -1.867   1.120  1.00  0.00           C  
HETATM   28  H   UNL     1      -5.670  -2.094  -1.192  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.333  -2.422  -1.799  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.629   1.348   1.143  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.574  -0.890   0.141  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.377  -1.746  -0.670  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.414   1.455   1.503  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.017   0.962   1.399  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.746  -1.286  -1.383  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.671   1.927   1.110  1.00  0.00           H  
HETATM   37  H   UNL     1       0.275   2.894  -0.225  1.00  0.00           H  
HETATM   38  H   UNL     1       4.485   3.391   0.853  1.00  0.00           H  
HETATM   39  H   UNL     1       4.574   3.304  -0.923  1.00  0.00           H  
HETATM   40  H   UNL     1       4.482   4.886  -0.113  1.00  0.00           H  
HETATM   41  H   UNL     1       4.394   1.799   0.028  1.00  0.00           H  
HETATM   42  H   UNL     1       5.216  -0.090  -1.480  1.00  0.00           H  
HETATM   43  H   UNL     1       6.956  -1.820  -1.300  1.00  0.00           H  
HETATM   44  H   UNL     1       6.781  -3.574   0.416  1.00  0.00           H  
HETATM   45  H   UNL     1       4.866  -3.608   1.960  1.00  0.00           H  
HETATM   46  H   UNL     1       3.120  -1.883   1.799  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   30                                       
CONECT    7    1    8    9    9                                       
CONECT    8    7   31   32                                            
CONECT    9    7    7   33   34                                       
CONECT   10    4   12   35                                            
CONECT   11    5   12   12   36                                       
CONECT   12   10   11   11   13                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   18   18                                       
CONECT   16   15   17                                                 
CONECT   17   16   38   39   40                                       
CONECT   18   15   15   19   41                                       
CONECT   19   18   20   20   22                                       
CONECT   20   13   19   19   21                                       
CONECT   21   20                                                      
CONECT   22   19   23   23   27                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   24   24   26   44                                       
CONECT   26   25   27   27   45                                       
CONECT   27   22   26   26   46                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
