COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.083  -0.118  -0.135  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.895   0.135  -0.092  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.484   1.394  -0.321  1.00  0.00           N  
HETATM    4  N   UNL     1      -4.024  -0.852   0.191  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.512  -2.211   0.440  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.664  -0.583   0.245  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.228   0.719   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.175   1.716  -0.283  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.816   2.861  -0.498  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.590  -1.328   0.493  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.497  -0.583   0.424  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.846   0.696   0.122  1.00  0.00           N  
HETATM   13  N   UNL     1       0.868  -0.623   0.546  1.00  0.00           N  
HETATM   14  C   UNL     1       1.671  -1.806   0.864  1.00  0.00           C  
HETATM   15  C   UNL     1       2.063  -2.520  -0.431  1.00  0.00           C  
HETATM   16  C   UNL     1       2.902  -3.756  -0.098  1.00  0.00           C  
HETATM   17  C   UNL     1       3.294  -4.470  -1.393  1.00  0.00           C  
HETATM   18  C   UNL     1       1.352   0.657   0.312  1.00  0.00           C  
HETATM   19  C   UNL     1       0.303   1.457   0.056  1.00  0.00           C  
HETATM   20  C   UNL     1       2.774   1.068   0.342  1.00  0.00           C  
HETATM   21  C   UNL     1       3.400   1.509  -0.824  1.00  0.00           C  
HETATM   22  C   UNL     1       2.630   1.569  -2.118  1.00  0.00           C  
HETATM   23  C   UNL     1       4.725   1.891  -0.790  1.00  0.00           C  
HETATM   24  C   UNL     1       5.433   1.838   0.398  1.00  0.00           C  
HETATM   25  C   UNL     1       4.818   1.401   1.558  1.00  0.00           C  
HETATM   26  C   UNL     1       3.492   1.022   1.538  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.139   2.081  -0.518  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.599  -2.228   0.354  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.079  -2.893  -0.292  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.222  -2.523   1.444  1.00  0.00           H  
HETATM   31  H   UNL     1       2.572  -1.501   1.398  1.00  0.00           H  
HETATM   32  H   UNL     1       1.090  -2.482   1.490  1.00  0.00           H  
HETATM   33  H   UNL     1       1.163  -2.825  -0.964  1.00  0.00           H  
HETATM   34  H   UNL     1       2.645  -1.844  -1.057  1.00  0.00           H  
HETATM   35  H   UNL     1       3.803  -3.450   0.435  1.00  0.00           H  
HETATM   36  H   UNL     1       2.321  -4.432   0.528  1.00  0.00           H  
HETATM   37  H   UNL     1       3.892  -5.350  -1.156  1.00  0.00           H  
HETATM   38  H   UNL     1       2.394  -4.775  -1.927  1.00  0.00           H  
HETATM   39  H   UNL     1       3.876  -3.793  -2.020  1.00  0.00           H  
HETATM   40  H   UNL     1       0.352   2.512  -0.166  1.00  0.00           H  
HETATM   41  H   UNL     1       2.086   2.511  -2.174  1.00  0.00           H  
HETATM   42  H   UNL     1       3.323   1.499  -2.957  1.00  0.00           H  
HETATM   43  H   UNL     1       1.924   0.739  -2.160  1.00  0.00           H  
HETATM   44  H   UNL     1       5.211   2.233  -1.692  1.00  0.00           H  
HETATM   45  H   UNL     1       6.470   2.138   0.419  1.00  0.00           H  
HETATM   46  H   UNL     1       5.375   1.365   2.482  1.00  0.00           H  
HETATM   47  H   UNL     1       3.013   0.682   2.444  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2    8   27                                            
CONECT    4    5    6    2                                            
CONECT    5    4   28   29   30                                       
CONECT    6   10    4    7    7                                       
CONECT    7    6    6   12    8                                       
CONECT    8    7    3    9    9                                       
CONECT    9    8    8                                                 
CONECT   10   11   11    6                                            
CONECT   11   10   10   13   12                                       
CONECT   12   11    7   19                                            
CONECT   13   14   11   18                                            
CONECT   14   15   13   31   32                                       
CONECT   15   16   14   33   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   37   38   39                                       
CONECT   18   13   20   19   19                                       
CONECT   19   18   18   12   40                                       
CONECT   20   26   18   21   21                                       
CONECT   21   20   20   23   22                                       
CONECT   22   21   41   42   43                                       
CONECT   23   24   24   21   44                                       
CONECT   24   25   23   23   45                                       
CONECT   25   26   26   24   46                                       
CONECT   26   25   25   20   47                                       
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
