COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.257   0.072   1.227  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.748  -0.268   1.292  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.128  -1.110   0.071  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.607  -1.397   0.098  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.289  -0.972   1.000  1.00  0.00           O  
HETATM    6  O   UNL     1      -6.168  -2.125  -0.881  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.780  -0.335  -1.203  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.289   0.006  -1.195  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.976   0.813  -0.009  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.655   1.251  -0.038  1.00  0.00           C  
HETATM   11  N   UNL     1       0.335   0.375  -0.025  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.371   2.625  -0.086  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.409   3.550  -0.105  1.00  0.00           N  
HETATM   14  N   UNL     1       0.887   3.039  -0.114  1.00  0.00           N  
HETATM   15  C   UNL     1       1.875   2.160  -0.095  1.00  0.00           C  
HETATM   16  C   UNL     1       1.598   0.798  -0.052  1.00  0.00           C  
HETATM   17  C   UNL     1       2.709  -0.184  -0.038  1.00  0.00           C  
HETATM   18  C   UNL     1       4.029   0.255   0.038  1.00  0.00           C  
HETATM   19  C   UNL     1       2.436  -1.550  -0.095  1.00  0.00           C  
HETATM   20  C   UNL     1       3.472  -2.462  -0.081  1.00  0.00           C  
HETATM   21  C   UNL     1       4.781  -2.025  -0.011  1.00  0.00           C  
HETATM   22  C   UNL     1       5.062  -0.667   0.052  1.00  0.00           C  
HETATM   23  O   UNL     1       6.351  -0.242   0.125  1.00  0.00           O  
HETATM   24  C   UNL     1       7.366  -1.248   0.135  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.986   0.683   2.088  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.674  -0.849   1.239  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.954  -0.832   2.202  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.331   0.653   1.294  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.575  -2.049   0.090  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.009  -0.947  -2.075  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.364   0.585  -1.240  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.120  -2.283  -0.820  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.706  -0.914  -1.172  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.040   0.571  -2.094  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.327   3.252  -0.006  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.216   4.494  -0.218  1.00  0.00           H  
HETATM   37  H   UNL     1       2.900   2.500  -0.118  1.00  0.00           H  
HETATM   38  H   UNL     1       4.246   1.312   0.086  1.00  0.00           H  
HETATM   39  H   UNL     1       1.414  -1.894  -0.150  1.00  0.00           H  
HETATM   40  H   UNL     1       3.259  -3.520  -0.125  1.00  0.00           H  
HETATM   41  H   UNL     1       5.589  -2.743   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1       7.303  -1.836  -0.780  1.00  0.00           H  
HETATM   43  H   UNL     1       8.346  -0.775   0.197  1.00  0.00           H  
HETATM   44  H   UNL     1       7.223  -1.900   0.996  1.00  0.00           H  
CONECT    1    2    9   25   26                                       
CONECT    2    1    3   27   28                                       
CONECT    3    2    4    7   29                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   32                                                 
CONECT    7    3    8   30   31                                       
CONECT    8    7    9   33   34                                       
CONECT    9    1    8   10                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10   16                                            
CONECT   12   10   13   14   14                                       
CONECT   13   12   35   36                                            
CONECT   14   12   12   15                                            
CONECT   15   14   16   16   37                                       
CONECT   16   11   15   15   17                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   22   22   38                                       
CONECT   19   17   17   20   39                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22   41                                       
CONECT   22   18   18   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   42   43   44                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
