COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.431   0.491  -0.067  1.00  0.00           C  
HETATM    2  N   UNL     1       5.097   1.783  -0.121  1.00  0.00           N  
HETATM    3  C   UNL     1       6.010   2.724  -0.110  1.00  0.00           C  
HETATM    4  C   UNL     1       7.369   2.425  -0.042  1.00  0.00           C  
HETATM    5  C   UNL     1       7.779   1.124   0.015  1.00  0.00           C  
HETATM    6  C   UNL     1       6.795   0.116   0.009  1.00  0.00           C  
HETATM    7  C   UNL     1       7.142  -1.242   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1       6.167  -2.194   0.059  1.00  0.00           C  
HETATM    9  C   UNL     1       4.823  -1.841  -0.016  1.00  0.00           C  
HETATM   10  C   UNL     1       4.443  -0.518  -0.078  1.00  0.00           C  
HETATM   11  N   UNL     1       3.091  -0.178  -0.152  1.00  0.00           N  
HETATM   12  C   UNL     1       2.156  -1.023   0.325  1.00  0.00           C  
HETATM   13  O   UNL     1       2.493  -2.034   0.910  1.00  0.00           O  
HETATM   14  C   UNL     1       0.724  -0.722   0.137  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.247  -1.597   0.631  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.583  -1.313   0.454  1.00  0.00           C  
HETATM   17  C   UNL     1       0.335   0.443  -0.530  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.003   0.721  -0.704  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.966  -0.156  -0.216  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.323   0.130  -0.394  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.880   1.277   0.012  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.294   2.182   0.567  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.352   1.270  -0.330  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.163   1.160   1.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.889  -0.342   1.378  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.624   1.075   0.543  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.813  -0.095  -0.032  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.464  -0.884   0.019  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.553  -0.112  -1.018  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.169  -0.719  -0.988  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.876  -1.815  -1.414  1.00  0.00           O  
HETATM   32  H   UNL     1       5.700   3.757  -0.155  1.00  0.00           H  
HETATM   33  H   UNL     1       8.098   3.222  -0.036  1.00  0.00           H  
HETATM   34  H   UNL     1       8.828   0.874   0.068  1.00  0.00           H  
HETATM   35  H   UNL     1       8.181  -1.533   0.129  1.00  0.00           H  
HETATM   36  H   UNL     1       6.442  -3.237   0.107  1.00  0.00           H  
HETATM   37  H   UNL     1       4.069  -2.614  -0.025  1.00  0.00           H  
HETATM   38  H   UNL     1       2.825   0.668  -0.546  1.00  0.00           H  
HETATM   39  H   UNL     1       0.050  -2.497   1.150  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.333  -1.989   0.835  1.00  0.00           H  
HETATM   41  H   UNL     1       1.082   1.124  -0.910  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.304   1.621  -1.219  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.655   2.114  -0.950  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.938   1.904   1.764  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.827  -0.555   1.497  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.472  -0.668   2.240  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.371   1.845   0.670  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.742  -0.448  -0.455  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.531  -1.964  -0.109  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.988  -0.057  -2.016  1.00  0.00           H  
CONECT    1    2   10   10    6                                       
CONECT    2    3    3    1                                            
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6   34                                       
CONECT    6    1    5    7    7                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   36                                       
CONECT    9   10    8    8   37                                       
CONECT   10   11    1    1    9                                       
CONECT   11   12   10   38                                            
CONECT   12   14   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   17   17   15   12                                       
CONECT   15   16   16   14   39                                       
CONECT   16   19   15   15   40                                       
CONECT   17   18   14   14   41                                       
CONECT   18   19   19   17   42                                       
CONECT   19   20   18   18   16                                       
CONECT   20   30   21   19                                            
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   29   24   21   43                                       
CONECT   24   26   25   23   44                                       
CONECT   25   28   24   45   46                                       
CONECT   26   27   27   24   47                                       
CONECT   27   26   26   28   48                                       
CONECT   28   27   29   25   49                                       
CONECT   29   28   23   30   50                                       
CONECT   30   29   31   31   20                                       
CONECT   31   30   30                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
