COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.545  -0.165   0.540  1.00  0.00           C  
HETATM    2  C   UNL     1       5.878  -0.499   0.406  1.00  0.00           C  
HETATM    3  C   UNL     1       6.741   0.348  -0.266  1.00  0.00           C  
HETATM    4  C   UNL     1       6.272   1.532  -0.805  1.00  0.00           C  
HETATM    5  C   UNL     1       4.939   1.872  -0.674  1.00  0.00           C  
HETATM    6  C   UNL     1       4.069   1.020  -0.005  1.00  0.00           C  
HETATM    7  N   UNL     1       2.719   1.362   0.129  1.00  0.00           N  
HETATM    8  C   UNL     1       1.774   0.401   0.095  1.00  0.00           C  
HETATM    9  O   UNL     1       2.099  -0.769   0.033  1.00  0.00           O  
HETATM   10  N   UNL     1       0.470   0.738   0.130  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.508  -0.256   0.095  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.290  -1.599   0.032  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.534  -2.235   0.016  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.761  -3.723  -0.049  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.840  -4.334  -1.107  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.455  -4.346   1.315  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.219  -4.001  -0.421  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.469  -1.320   0.067  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.855  -0.063   0.123  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.510   1.174   0.194  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.717   1.359  -0.465  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.955   2.214   0.929  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.600   3.434   0.999  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.799   3.623   0.340  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.363   2.585  -0.392  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.578   2.775  -1.054  1.00  0.00           N  
HETATM   27  H   UNL     1       3.872  -0.827   1.064  1.00  0.00           H  
HETATM   28  H   UNL     1       6.247  -1.423   0.826  1.00  0.00           H  
HETATM   29  H   UNL     1       7.783   0.084  -0.369  1.00  0.00           H  
HETATM   30  H   UNL     1       6.948   2.191  -1.329  1.00  0.00           H  
HETATM   31  H   UNL     1       4.574   2.797  -1.095  1.00  0.00           H  
HETATM   32  H   UNL     1       2.463   2.290   0.246  1.00  0.00           H  
HETATM   33  H   UNL     1       0.211   1.671   0.179  1.00  0.00           H  
HETATM   34  H   UNL     1       0.674  -2.085  -0.001  1.00  0.00           H  
HETATM   35  H   UNL     1       0.199  -4.136  -0.842  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.004  -5.411  -1.154  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.058  -3.891  -2.079  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.111  -3.911   2.068  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.619  -5.422   1.268  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.416  -4.148   1.579  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.437  -3.558  -1.392  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.383  -5.078  -0.468  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.875  -3.566   0.333  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.152   0.551  -1.034  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.018   2.069   1.445  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.166   4.240   1.572  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.301   4.578   0.398  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.971   2.050  -1.564  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.029   3.633  -1.002  1.00  0.00           H  
CONECT    1    6    6    2   27                                       
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   32                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   33                                            
CONECT   11   10   12   12   19                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   17   16                                       
CONECT   15   14   35   36   37                                       
CONECT   16   14   38   39   40                                       
CONECT   17   14   41   42   43                                       
CONECT   18   13   13   19                                            
CONECT   19   11   18   20                                            
CONECT   20   19   22   22   21                                       
CONECT   21   20   25   25   44                                       
CONECT   22   20   20   23   45                                       
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   25   47                                       
CONECT   25   21   21   24   26                                       
CONECT   26   25   48   49                                            
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
