COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.458   2.206  -1.145  1.00  0.00           C  
HETATM    2  N   UNL     1       0.284   1.203  -0.370  1.00  0.00           N1+
HETATM    3  C   UNL     1       1.670   1.222  -0.811  1.00  0.00           C  
HETATM    4  C   UNL     1       2.441   0.055  -0.269  1.00  0.00           C  
HETATM    5  C   UNL     1       3.829   0.077  -0.274  1.00  0.00           C  
HETATM    6  O   UNL     1       4.684   1.034  -0.700  1.00  0.00           O  
HETATM    7  C   UNL     1       5.959   0.703  -0.111  1.00  0.00           C  
HETATM    8  O   UNL     1       5.889  -0.724   0.095  1.00  0.00           O  
HETATM    9  C   UNL     1       4.573  -1.007   0.216  1.00  0.00           C  
HETATM   10  C   UNL     1       3.940  -2.134   0.720  1.00  0.00           C  
HETATM   11  C   UNL     1       2.553  -2.137   0.723  1.00  0.00           C  
HETATM   12  C   UNL     1       1.814  -1.065   0.246  1.00  0.00           C  
HETATM   13  C   UNL     1       0.312  -1.143   0.319  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.336  -0.106  -0.602  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.801  -0.013  -0.221  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.245   0.939   0.669  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.311   1.944   1.299  1.00  0.00           C  
HETATM   18  C   UNL     1       0.148   1.532   1.052  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.672  -0.929  -0.806  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.012  -0.857  -0.458  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.062  -1.605  -0.862  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.237  -0.851  -0.497  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.801  -0.041   0.615  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.467   0.109   0.453  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.592   1.017   1.027  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.399   1.962  -2.206  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.502   2.208  -0.831  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.025   3.191  -0.974  1.00  0.00           H  
HETATM   29  H   UNL     1       1.698   1.192  -1.900  1.00  0.00           H  
HETATM   30  H   UNL     1       2.138   2.146  -0.470  1.00  0.00           H  
HETATM   31  H   UNL     1       6.771   0.951  -0.795  1.00  0.00           H  
HETATM   32  H   UNL     1       4.504  -2.975   1.095  1.00  0.00           H  
HETATM   33  H   UNL     1       2.032  -3.001   1.108  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.009  -2.140   0.017  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.007  -0.960   1.344  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.219  -0.399  -1.645  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.494   2.928   0.866  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.495   1.985   2.372  1.00  0.00           H  
HETATM   39  H   UNL     1       0.397   0.669   1.670  1.00  0.00           H  
HETATM   40  H   UNL     1       0.812   2.362   1.292  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.316  -1.671  -1.506  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.559  -0.220  -1.326  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.941   1.760   1.728  1.00  0.00           H  
HETATM   44  H   UNL     1       6.088   1.223   0.838  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.041  -1.520  -0.191  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2   14   18    1    3                                       
CONECT    3    2    4   29   30                                       
CONECT    4   12    3    5    5                                       
CONECT    5    4    4    9    6                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   31   44                                       
CONECT    8    9    7                                                 
CONECT    9   10   10    5    8                                       
CONECT   10   11    9    9   32                                       
CONECT   11   12   12   10   33                                       
CONECT   12   13   11   11    4                                       
CONECT   13   14   12   34   35                                       
CONECT   14   15   13    2   36                                       
CONECT   15   19   19   16   14                                       
CONECT   16   25   25   15   17                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17    2   39   40                                       
CONECT   19   20   15   15   41                                       
CONECT   20   21   24   24   19                                       
CONECT   21   22   20                                                 
CONECT   22   23   21   42   45                                       
CONECT   23   22   24                                                 
CONECT   24   23   20   20   25                                       
CONECT   25   24   16   16   43                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44    7                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
