COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.856   2.083  -2.422  1.00  0.00           O  
HETATM    2  C   UNL     1       3.648   1.345  -1.473  1.00  0.00           C  
HETATM    3  N   UNL     1       3.675   1.822  -0.210  1.00  0.00           N  
HETATM    4  C   UNL     1       3.955   3.240   0.034  1.00  0.00           C  
HETATM    5  C   UNL     1       3.441   0.983   0.835  1.00  0.00           C  
HETATM    6  N   UNL     1       3.469   1.475   2.112  1.00  0.00           N  
HETATM    7  N   UNL     1       3.187  -0.295   0.638  1.00  0.00           N  
HETATM    8  C   UNL     1       3.149  -0.814  -0.587  1.00  0.00           C  
HETATM    9  C   UNL     1       3.371  -0.019  -1.674  1.00  0.00           C  
HETATM   10  C   UNL     1       2.856  -2.280  -0.775  1.00  0.00           C  
HETATM   11  C   UNL     1       2.810  -3.157   0.478  1.00  0.00           C  
HETATM   12  C   UNL     1       1.515  -2.804  -0.256  1.00  0.00           C  
HETATM   13  C   UNL     1       0.589  -1.815   0.403  1.00  0.00           C  
HETATM   14  C   UNL     1       1.003  -1.126   1.529  1.00  0.00           C  
HETATM   15  C   UNL     1       0.159  -0.216   2.138  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.103   0.009   1.626  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.525  -0.682   0.493  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.668  -1.593  -0.121  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.881  -0.444  -0.063  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.305  -1.140  -1.193  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.566  -0.917  -1.708  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.412  -0.005  -1.105  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.997   0.693   0.021  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.735   0.470   0.548  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.831   1.589   0.611  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.120   1.763   0.018  1.00  0.00           C  
HETATM   27  H   UNL     1       4.114   3.747  -0.918  1.00  0.00           H  
HETATM   28  H   UNL     1       3.109   3.693   0.550  1.00  0.00           H  
HETATM   29  H   UNL     1       4.849   3.333   0.650  1.00  0.00           H  
HETATM   30  H   UNL     1       3.655   2.415   2.266  1.00  0.00           H  
HETATM   31  H   UNL     1       3.303   0.884   2.863  1.00  0.00           H  
HETATM   32  H   UNL     1       3.337  -0.431  -2.671  1.00  0.00           H  
HETATM   33  H   UNL     1       3.251  -2.726  -1.687  1.00  0.00           H  
HETATM   34  H   UNL     1       3.175  -4.181   0.390  1.00  0.00           H  
HETATM   35  H   UNL     1       2.992  -2.674   1.438  1.00  0.00           H  
HETATM   36  H   UNL     1       1.029  -3.595  -0.828  1.00  0.00           H  
HETATM   37  H   UNL     1       1.989  -1.299   1.934  1.00  0.00           H  
HETATM   38  H   UNL     1       0.487   0.319   3.017  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.762   0.720   2.103  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.989  -2.128  -1.003  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.647  -1.853  -1.667  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.893  -1.457  -2.584  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.398   0.166  -1.511  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.413   1.009   1.427  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.003   2.104  -1.011  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.656   0.814   0.028  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.683   2.504   0.585  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    9    3                                       
CONECT    3    2    4    5                                            
CONECT    4    3   27   28   29                                       
CONECT    5    3    7    7    6                                       
CONECT    6    5   30   31                                            
CONECT    7    8    5    5                                            
CONECT    8    9    9   10    7                                       
CONECT    9    2    8    8   32                                       
CONECT   10   11   12    8   33                                       
CONECT   11   10   12   34   35                                       
CONECT   12   11   10   13   36                                       
CONECT   13   14   12   18   18                                       
CONECT   14   15   15   13   37                                       
CONECT   15   14   14   16   38                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   18   19                                       
CONECT   18   13   13   17   40                                       
CONECT   19   17   24   24   20                                       
CONECT   20   19   21   21   41                                       
CONECT   21   20   20   22   42                                       
CONECT   22   23   23   21   43                                       
CONECT   23   24   25   22   22                                       
CONECT   24   19   19   23   44                                       
CONECT   25   26   23                                                 
CONECT   26   25   45   46   47                                       
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
