COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.364   4.137   1.074  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.844   2.922   0.323  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.198   2.492  -0.609  1.00  0.00           O  
HETATM    4  N   UNL     1      -1.990   2.314   0.686  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.457   1.133  -0.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.976   1.007   0.102  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.610   2.140  -0.496  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.442  -0.272  -0.600  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.848  -0.438  -0.408  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.699  -1.471  -0.004  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.115  -2.746  -0.741  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.512  -3.878  -0.111  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.291  -1.276  -0.146  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.791  -0.120   0.530  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.376  -0.035   0.345  1.00  0.00           O  
HETATM   16  C   UNL     1       0.354  -1.105   0.948  1.00  0.00           C  
HETATM   17  C   UNL     1       1.827  -0.915   0.693  1.00  0.00           C  
HETATM   18  C   UNL     1       2.819  -1.921   1.224  1.00  0.00           C  
HETATM   19  C   UNL     1       4.041  -1.883   0.330  1.00  0.00           C  
HETATM   20  O   UNL     1       4.622  -2.898   0.010  1.00  0.00           O  
HETATM   21  N   UNL     1       4.461  -0.656  -0.102  1.00  0.00           N1+
HETATM   22  C   UNL     1       5.749  -0.460  -0.371  1.00  0.00           C  
HETATM   23  C   UNL     1       6.204   0.767  -0.801  1.00  0.00           C  
HETATM   24  C   UNL     1       5.301   1.814  -0.954  1.00  0.00           C  
HETATM   25  C   UNL     1       3.966   1.591  -0.671  1.00  0.00           C  
HETATM   26  C   UNL     1       3.558   0.327  -0.243  1.00  0.00           C  
HETATM   27  N   UNL     1       2.236   0.104   0.017  1.00  0.00           N  
HETATM   28  H   UNL     1      -1.069   4.373   1.872  1.00  0.00           H  
HETATM   29  H   UNL     1       0.616   3.934   1.505  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.293   4.983   0.391  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.507   2.658   1.431  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.200   1.231  -1.100  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.238   0.959   1.159  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.575   2.126  -0.440  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.226  -0.202  -1.666  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.211  -1.232  -0.822  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.948  -1.564   1.053  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.199  -2.847  -0.709  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.785  -2.690  -1.778  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.732  -4.723  -0.526  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.015  -0.195   1.594  1.00  0.00           H  
HETATM   42  H   UNL     1       0.169  -1.111   2.023  1.00  0.00           H  
HETATM   43  H   UNL     1       0.030  -2.053   0.519  1.00  0.00           H  
HETATM   44  H   UNL     1       3.101  -1.660   2.245  1.00  0.00           H  
HETATM   45  H   UNL     1       2.380  -2.919   1.206  1.00  0.00           H  
HETATM   46  H   UNL     1       6.448  -1.275  -0.251  1.00  0.00           H  
HETATM   47  H   UNL     1       7.252   0.914  -1.017  1.00  0.00           H  
HETATM   48  H   UNL     1       5.638   2.785  -1.287  1.00  0.00           H  
HETATM   49  H   UNL     1       3.245   2.388  -0.781  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   31                                            
CONECT    5    6   14    4   32                                       
CONECT    6    8    7    5   33                                       
CONECT    7    6   34                                                 
CONECT    8    9   10    6   35                                       
CONECT    9    8   36                                                 
CONECT   10   11    8   13   37                                       
CONECT   11   12   10   38   39                                       
CONECT   12   11   40                                                 
CONECT   13   10   14                                                 
CONECT   14   13    5   15   41                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   42   43                                       
CONECT   17   16   27   27   18                                       
CONECT   18   17   19   44   45                                       
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   26   19   22   22                                       
CONECT   22   21   21   23   46                                       
CONECT   23   24   24   22   47                                       
CONECT   24   25   23   23   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   27   25   25   21                                       
CONECT   27   17   17   26                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
