COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.075   2.105   0.613  1.00  0.00           O  
HETATM    2  C   UNL     1       3.258   2.080   0.342  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.960   3.228   0.284  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.931   0.785   0.082  1.00  0.00           C  
HETATM    5  N   UNL     1       5.242   0.756  -0.344  1.00  0.00           N  
HETATM    6  C   UNL     1       5.869  -0.407  -0.585  1.00  0.00           C  
HETATM    7  O   UNL     1       7.026  -0.389  -0.959  1.00  0.00           O  
HETATM    8  N   UNL     1       5.253  -1.591  -0.423  1.00  0.00           N  
HETATM    9  C   UNL     1       3.970  -1.642  -0.008  1.00  0.00           C  
HETATM   10  O   UNL     1       3.409  -2.711   0.140  1.00  0.00           O  
HETATM   11  C   UNL     1       3.264  -0.384   0.267  1.00  0.00           C  
HETATM   12  C   UNL     1       1.831  -0.389   0.733  1.00  0.00           C  
HETATM   13  C   UNL     1       0.900  -0.386  -0.481  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.533  -0.391  -0.015  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.185  -1.592   0.199  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.499  -1.599   0.625  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.192   0.804   0.203  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.506   0.803   0.629  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.164  -0.401   0.839  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.457  -0.405   1.258  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.423  -0.111   0.349  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.073   0.279  -0.936  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.058   0.577  -1.858  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.391   0.488  -1.501  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.742   0.100  -0.221  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.762  -0.205   0.703  1.00  0.00           C  
HETATM   27  HXT UNL     1       3.479   4.047   0.465  1.00  0.00           H  
HETATM   28  H   UNL     1       5.720   1.590  -0.473  1.00  0.00           H  
HETATM   29  H   UNL     1       5.733  -2.413  -0.605  1.00  0.00           H  
HETATM   30  H   UNL     1       1.646  -1.282   1.331  1.00  0.00           H  
HETATM   31  H   UNL     1       1.642   0.498   1.338  1.00  0.00           H  
HETATM   32  H   UNL     1       1.085   0.507  -1.079  1.00  0.00           H  
HETATM   33  H   UNL     1       1.089  -1.273  -1.086  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.666  -2.525   0.032  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.008  -2.537   0.791  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.679   1.741   0.039  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.020   1.737   0.800  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.032   0.350  -1.214  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.786   0.881  -2.858  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.159   0.726  -2.222  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.784   0.031   0.054  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.037  -0.509   1.702  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   27                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   28                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   29                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   30   31                                       
CONECT   13   14   12   32   33                                       
CONECT   14   15   13   17   17                                       
CONECT   15   16   16   14   34                                       
CONECT   16   15   15   19   35                                       
CONECT   17   14   14   18   36                                       
CONECT   18   19   19   17   37                                       
CONECT   19   16   20   18   18                                       
CONECT   20   21   19                                                 
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   38                                       
CONECT   23   24   22   22   39                                       
CONECT   24   25   25   23   40                                       
CONECT   25   24   24   26   41                                       
CONECT   26   25   21   21   42                                       
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
