COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.767   0.432  -0.541  1.00  0.00           N  
HETATM    2  C   UNL     1       3.777   0.071   0.726  1.00  0.00           C  
HETATM    3  C   UNL     1       5.056   0.167   1.518  1.00  0.00           C  
HETATM    4  C   UNL     1       2.624  -0.396   1.338  1.00  0.00           C  
HETATM    5  O   UNL     1       2.640  -0.769   2.645  1.00  0.00           O  
HETATM    6  C   UNL     1       1.451  -0.480   0.594  1.00  0.00           C  
HETATM    7  C   UNL     1       0.175  -0.983   1.219  1.00  0.00           C  
HETATM    8  C   UNL     1       1.486  -0.095  -0.735  1.00  0.00           C  
HETATM    9  C   UNL     1       2.673   0.366  -1.273  1.00  0.00           C  
HETATM   10  C   UNL     1       0.241  -0.166  -1.582  1.00  0.00           C  
HETATM   11  O   UNL     1       0.537   0.294  -2.902  1.00  0.00           O  
HETATM   12  P   UNL     1      -0.829   0.190  -3.748  1.00  0.00           P  
HETATM   13  O   UNL     1      -1.865   1.037  -3.116  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.568   0.697  -5.254  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.329  -1.339  -3.775  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.566   0.146   1.794  1.00  0.00           N  
HETATM   17  CA  UNL     1      -1.792  -0.409   2.384  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.888  -0.415   1.350  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.751  -1.260   1.390  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.219   0.449   3.575  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.106   0.456   4.625  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.534   1.315   5.817  1.00  0.00           C  
HETATM   23  OXT UNL     1      -2.906   0.516   0.384  1.00  0.00           O  
HETATM   24  H   UNL     1       5.607  -0.769   1.433  1.00  0.00           H  
HETATM   25  H   UNL     1       5.664   0.983   1.129  1.00  0.00           H  
HETATM   26  H   UNL     1       4.820   0.357   2.566  1.00  0.00           H  
HETATM   27  H   UNL     1       2.862  -1.709   2.665  1.00  0.00           H  
HETATM   28  H   UNL     1       0.413  -1.699   2.006  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.435  -1.469   0.458  1.00  0.00           H  
HETATM   30  H   UNL     1       2.705   0.671  -2.309  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.108  -1.198  -1.627  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.533   0.461  -1.143  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.409   0.619  -5.724  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.626  -1.855  -4.194  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.854   0.728   1.021  1.00  0.00           H  
HETATM   36  HA  UNL     1      -1.603  -1.428   2.720  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.129   0.037   4.013  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.408   1.469   3.239  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.197   0.869   4.187  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.918  -0.563   4.961  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.741   1.320   6.564  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.723   2.335   5.480  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.443   0.903   6.254  1.00  0.00           H  
HETATM   44  HXT UNL     1      -3.609   0.512  -0.278  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   24   25   26                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   27                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   16   28   29                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   30                                       
CONECT   10    8   11   31   32                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   33                                                 
CONECT   15   12   34                                                 
CONECT   16    7   17   35                                            
CONECT   17   16   18   20   36                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   37   38                                       
CONECT   21   20   22   39   40                                       
CONECT   22   21   41   42   43                                       
CONECT   23   18   44                                                 
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
