COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.054   4.129   0.007  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.153   3.354   0.008  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.301   3.752  -0.009  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.733   1.941   0.038  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.425   0.723   0.053  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.827   0.323  -0.029  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.854  -1.092   0.026  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.064  -1.780  -0.049  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.217  -1.022  -0.167  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.189   0.361  -0.211  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.002   1.069  -0.143  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.570  -1.552   0.182  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.700  -0.475   0.143  1.00  0.00           C  
HETATM   14  C   UNL     1       0.726  -0.454   0.145  1.00  0.00           C  
HETATM   15  N   UNL     1       1.608  -1.521   0.191  1.00  0.00           N  
HETATM   16  C   UNL     1       2.887  -1.047   0.039  1.00  0.00           C  
HETATM   17  C   UNL     1       2.844   0.368  -0.027  1.00  0.00           C  
HETATM   18  C   UNL     1       4.008   1.127  -0.157  1.00  0.00           C  
HETATM   19  C   UNL     1       5.203   0.431  -0.230  1.00  0.00           C  
HETATM   20  C   UNL     1       5.247  -0.951  -0.176  1.00  0.00           C  
HETATM   21  C   UNL     1       4.104  -1.721  -0.040  1.00  0.00           C  
HETATM   22  C   UNL     1       1.395   0.755   0.058  1.00  0.00           C  
HETATM   23  C   UNL     1       0.675   1.958   0.044  1.00  0.00           C  
HETATM   24  C   UNL     1       1.063   3.380   0.028  1.00  0.00           C  
HETATM   25  O   UNL     1       2.201   3.804   0.034  1.00  0.00           O  
HETATM   26  C   UNL     1       1.199  -2.911   0.416  1.00  0.00           C  
HETATM   27  O   UNL     1       0.014  -2.970   1.243  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.147  -2.938   0.411  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.736  -3.567  -0.935  1.00  0.00           C  
HETATM   30  C   UNL     1       0.807  -3.547  -0.933  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.065   5.099  -0.007  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.101  -2.859  -0.016  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.169  -1.527  -0.227  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.119   0.902  -0.299  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.984   2.148  -0.177  1.00  0.00           H  
HETATM   36  H   UNL     1       3.978   2.205  -0.198  1.00  0.00           H  
HETATM   37  H   UNL     1       6.127   0.982  -0.332  1.00  0.00           H  
HETATM   38  H   UNL     1       6.205  -1.445  -0.242  1.00  0.00           H  
HETATM   39  H   UNL     1       4.154  -2.799   0.003  1.00  0.00           H  
HETATM   40  H   UNL     1       2.009  -3.474   0.879  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.956  -3.511   0.866  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.101  -4.592  -1.002  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.120  -2.972  -1.764  1.00  0.00           H  
HETATM   44  H   UNL     1       1.198  -4.562  -1.000  1.00  0.00           H  
HETATM   45  H   UNL     1       1.179  -2.942  -1.759  1.00  0.00           H  
CONECT    1    2   24   31                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   23                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   12                                       
CONECT    8    7    9    9   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11    6   10   10   35                                       
CONECT   12    7   13   28                                            
CONECT   13    5   12   14   14                                       
CONECT   14   13   13   15   22                                       
CONECT   15   14   16   26                                            
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   21   38                                       
CONECT   21   16   20   20   39                                       
CONECT   22   14   17   23   23                                       
CONECT   23    4   22   22   24                                       
CONECT   24    1   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   15   27   30   40                                       
CONECT   27   26   28                                                 
CONECT   28   12   27   29   41                                       
CONECT   29   28   30   42   43                                       
CONECT   30   26   29   44   45                                       
CONECT   31    1                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   26                                                      
CONECT   41   28                                                      
CONECT   42   29                                                      
CONECT   43   29                                                      
CONECT   44   30                                                      
CONECT   45   30                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
