COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.884   0.441   1.917  1.00  0.00           O  
HETATM    2  C   UNL     1       4.066  -0.336   1.002  1.00  0.00           C  
HETATM    3  O   UNL     1       5.294  -0.846   0.785  1.00  0.00           O  
HETATM    4  C   UNL     1       2.940  -0.726   0.128  1.00  0.00           C  
HETATM    5  C   UNL     1       1.669  -0.199   0.350  1.00  0.00           C  
HETATM    6  C   UNL     1       3.148  -1.619  -0.926  1.00  0.00           C  
HETATM    7  C   UNL     1       2.096  -1.984  -1.742  1.00  0.00           C  
HETATM    8  C   UNL     1       0.833  -1.469  -1.523  1.00  0.00           C  
HETATM    9  C   UNL     1       0.614  -0.567  -0.481  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.741  -0.017  -0.248  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.828  -0.862  -0.007  1.00  0.00           C  
HETATM   12  CA  UNL     1      -3.082  -0.303   0.212  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.242  -1.189   0.469  1.00  0.00           C  
HETATM   14  OXT UNL     1      -5.461  -0.659   0.683  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.093  -2.394   0.486  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.256   1.014   0.196  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.265   1.847  -0.027  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.971   1.374  -0.257  1.00  0.00           C  
HETATM   19  C   UNL     1       0.140   2.316  -0.501  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.061   3.642  -0.376  1.00  0.00           O  
HETATM   21  O   UNL     1       1.236   1.895  -0.814  1.00  0.00           O  
HETATM   22  H   UNL     1       5.998  -0.564   1.385  1.00  0.00           H  
HETATM   23  H   UNL     1       1.502   0.492   1.164  1.00  0.00           H  
HETATM   24  H   UNL     1       4.133  -2.024  -1.102  1.00  0.00           H  
HETATM   25  H   UNL     1       2.262  -2.674  -2.556  1.00  0.00           H  
HETATM   26  H   UNL     1       0.015  -1.759  -2.165  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.696  -1.934   0.009  1.00  0.00           H  
HETATM   28  HXT UNL     1      -6.187  -1.276   0.846  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.452   2.911  -0.031  1.00  0.00           H  
HETATM   30  H   UNL     1       0.696   4.219  -0.545  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   22                                                 
CONECT    4    5    5    6    2                                       
CONECT    5    9    4    4   23                                       
CONECT    6    7    7    4   24                                       
CONECT    7    8    6    6   25                                       
CONECT    8    9    9    7   26                                       
CONECT    9   10    8    8    5                                       
CONECT   10   11   11   18    9                                       
CONECT   11   12   10   10   27                                       
CONECT   12   13   16   16   11                                       
CONECT   13   15   15   14   12                                       
CONECT   14   13   28                                                 
CONECT   15   13   13                                                 
CONECT   16   12   12   17                                            
CONECT   17   16   18   18   29                                       
CONECT   18   17   17   10   19                                       
CONECT   19   18   21   21   20                                       
CONECT   20   19   30                                                 
CONECT   21   19   19                                                 
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   14                                                      
CONECT   29   17                                                      
CONECT   30   20                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
