COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.755   2.122  -0.914  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.843   1.498  -0.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.657   0.003   0.007  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.532  -0.661   0.358  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.890  -2.029   0.234  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.098  -3.104   0.478  1.00  0.00           O1-
HETATM    7  N   UNL     1      -2.133  -2.047  -0.168  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.572  -0.928  -0.299  1.00  0.00           O  
HETATM    9  C   UNL     1       0.792  -0.084   0.788  1.00  0.00           C  
HETATM   10  CA  UNL     1       1.729  -0.003  -0.418  1.00  0.00           C  
HETATM   11  C   UNL     1       3.001   0.701  -0.019  1.00  0.00           C  
HETATM   12  O   UNL     1       2.986   1.950   0.235  1.00  0.00           O1-
HETATM   13  OXT UNL     1       4.093   0.046   0.064  1.00  0.00           O  
HETATM   14  N   UNL     1       2.046  -1.359  -0.884  1.00  0.00           N1+
HETATM   15  C   UNL     1      -1.744   2.067   1.379  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.218   1.824  -0.623  1.00  0.00           C  
HETATM   17  H   UNL     1       0.216   1.992  -0.436  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.748   1.632  -1.888  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.957   3.185  -1.043  1.00  0.00           H  
HETATM   20  H   UNL     1       0.637   0.916   1.195  1.00  0.00           H  
HETATM   21  H   UNL     1       1.236  -0.722   1.552  1.00  0.00           H  
HETATM   22  HA  UNL     1       1.243   0.553  -1.220  1.00  0.00           H  
HETATM   23  H1  UNL     1       1.194  -1.830  -1.151  1.00  0.00           H  
HETATM   24  H2  UNL     1       2.664  -1.306  -1.680  1.00  0.00           H  
HETATM   25  H3  UNL     1       2.496  -1.874  -0.142  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.981   3.131   1.361  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.450   1.549   2.029  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.732   1.926   1.758  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.288   1.418  -1.633  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.993   1.380   0.001  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.353   2.905  -0.656  1.00  0.00           H  
CONECT    1    2   17   18   19                                       
CONECT    2    1    3   15   16                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5                                                      
CONECT    7    5    5    8                                            
CONECT    8    3    7                                                 
CONECT    9    4   10   20   21                                       
CONECT   10    9   11   14   22                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11                                                      
CONECT   13   11   11                                                 
CONECT   14   10   23   24   25                                       
CONECT   15    2   26   27   28                                       
CONECT   16    2   29   30   31                                       
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   14                                                      
CONECT   24   14                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
