COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.897  -0.555  -0.355  1.00  0.00           O  
HETATM    2  C   UNL     1       4.411   0.079  -1.300  1.00  0.00           C  
HETATM    3  CA  UNL     1       3.002   0.394  -1.468  1.00  0.00           C  
HETATM    4  N   UNL     1       2.690   1.104  -2.574  1.00  0.00           N  
HETATM    5  C   UNL     1       2.077  -0.022  -0.526  1.00  0.00           C  
HETATM    6  C   UNL     1       1.386   1.428  -2.748  1.00  0.00           C  
HETATM    7  C   UNL     1       0.744   0.316  -0.727  1.00  0.00           C  
HETATM    8  C   UNL     1       1.024   2.160  -4.017  1.00  0.00           C  
HETATM    9  C   UNL     1       0.379   1.058  -1.851  1.00  0.00           C  
HETATM   10  O   UNL     1       0.853   1.213  -5.074  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.261   2.992  -3.897  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.254  -0.148   0.286  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.789  -1.407  -0.133  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.014   1.436  -2.094  1.00  0.00           C  
HETATM   15  C   UNL     1       0.350  -0.321   1.679  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.309   2.341  -3.037  1.00  0.00           C  
HETATM   17  OXT UNL     1       5.178   0.561  -2.316  1.00  0.00           O  
HETATM   18  H   UNL     1       2.382  -0.594   0.342  1.00  0.00           H  
HETATM   19  H   UNL     1       1.849   2.818  -4.312  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.094   1.010  -5.111  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.681   3.172  -4.893  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.032   3.969  -3.453  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.106   0.546   0.366  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.054  -1.895  -0.530  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.790   1.000  -1.476  1.00  0.00           H  
HETATM   26  H   UNL     1       0.780   0.617   2.043  1.00  0.00           H  
HETATM   27  H   UNL     1       1.136  -1.085   1.682  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.410  -0.656   2.392  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.342   2.645  -3.179  1.00  0.00           H  
HETATM   30  HXT UNL     1       6.131   0.353  -2.212  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   17                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    6                                            
CONECT    5    3    7    7   18                                       
CONECT    6    4    8    9    9                                       
CONECT    7    5    5    9   12                                       
CONECT    8    6   10   11   19                                       
CONECT    9    6    6    7   14                                       
CONECT   10    8   20                                                 
CONECT   11    8   16   21   22                                       
CONECT   12    7   13   15   23                                       
CONECT   13   12   24                                                 
CONECT   14    9   16   16   25                                       
CONECT   15   12   26   27   28                                       
CONECT   16   11   14   14   29                                       
CONECT   17    2   30                                                 
CONECT   18    5                                                      
CONECT   19    8                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
