COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.991   2.153   0.402  1.00  0.00           O  
HETATM    2  C   UNL     1       4.191   2.158   0.217  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.840   3.323   0.034  1.00  0.00           O  
HETATM    4  CA  UNL     1       4.943   0.880   0.199  1.00  0.00           C  
HETATM    5  N   UNL     1       6.281   0.865  -0.132  1.00  0.00           N  
HETATM    6  C   UNL     1       6.979  -0.283  -0.154  1.00  0.00           C  
HETATM    7  O   UNL     1       8.157  -0.252  -0.451  1.00  0.00           O  
HETATM    8  N   UNL     1       6.410  -1.463   0.145  1.00  0.00           N  
HETATM    9  C   UNL     1       5.104  -1.527   0.479  1.00  0.00           C  
HETATM   10  O   UNL     1       4.586  -2.594   0.750  1.00  0.00           O  
HETATM   11  C   UNL     1       4.320  -0.286   0.514  1.00  0.00           C  
HETATM   12  C   UNL     1       2.860  -0.305   0.887  1.00  0.00           C  
HETATM   13  C   UNL     1       2.016  -0.534  -0.368  1.00  0.00           C  
HETATM   14  C   UNL     1       0.534  -0.553   0.010  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.310  -0.782  -1.245  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.770  -0.802  -0.872  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.479   0.361  -0.880  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.840   0.348  -0.533  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.600   1.533  -0.532  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.914   1.497  -0.194  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.535   0.285   0.157  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.966   0.274   0.521  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.672   1.421   0.514  1.00  0.00           O  
HETATM   24  O   UNL     1      -8.507  -0.771   0.825  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.814  -0.899   0.165  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.455  -0.880  -0.181  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.690  -2.061  -0.185  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.375  -2.010  -0.531  1.00  0.00           C  
HETATM   29  HXT UNL     1       4.308   4.130   0.058  1.00  0.00           H  
HETATM   30  H   UNL     1       6.941  -2.274   0.121  1.00  0.00           H  
HETATM   31  H   UNL     1       2.678  -1.110   1.599  1.00  0.00           H  
HETATM   32  H   UNL     1       2.588   0.649   1.339  1.00  0.00           H  
HETATM   33  H   UNL     1       2.199   0.271  -1.080  1.00  0.00           H  
HETATM   34  H   UNL     1       2.289  -1.488  -0.820  1.00  0.00           H  
HETATM   35  H   UNL     1       0.352  -1.358   0.722  1.00  0.00           H  
HETATM   36  H   UNL     1       0.262   0.400   0.462  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.127   0.023  -1.957  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.038  -1.736  -1.697  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.997   1.288  -1.150  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.136   2.471  -0.800  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.490   2.410  -0.196  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.606   1.364   0.760  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.295  -1.827   0.435  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.145  -3.003   0.081  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.790  -2.917  -0.534  1.00  0.00           H  
HETATM   46  H   UNL     1       6.726   1.697  -0.354  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   29                                                 
CONECT    4    5    2   11   11                                       
CONECT    5    6    4   46                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   30                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    4    4    9   12                                       
CONECT   12   11   13   31   32                                       
CONECT   13   12   14   33   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   37   38                                       
CONECT   16   28   15   17   17                                       
CONECT   17   16   16   18   39                                       
CONECT   18   26   17   19   19                                       
CONECT   19   18   18   20   40                                       
CONECT   20   21   21   19   41                                       
CONECT   21   25   22   20   20                                       
CONECT   22   24   24   21   23                                       
CONECT   23   22   42                                                 
CONECT   24   22   22                                                 
CONECT   25   26   26   21   43                                       
CONECT   26   27   25   25   18                                       
CONECT   27   28   28   26   44                                       
CONECT   28   27   27   16   45                                       
CONECT   29    3                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46    5                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
