COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1       2.977  -2.409   0.959  1.00  0.00           O  
HETATM    2  C   UNL     1       2.760  -1.513  -0.016  1.00  0.00           C  
HETATM    3  O   UNL     1       2.663  -1.879  -1.163  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.639  -0.048   0.320  1.00  0.00           C  
HETATM    5  C   UNL     1       1.230   0.239   0.845  1.00  0.00           C  
HETATM    6  C   UNL     1       1.105   1.731   1.165  1.00  0.00           C  
HETATM    7  C   UNL     1       1.415   2.544  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       2.818   2.190  -0.592  1.00  0.00           C  
HETATM    9  N   UNL     1       2.886   0.752  -0.886  1.00  0.00           N  
HETATM   10  C   UNL     1       0.200  -0.142  -0.221  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.209   0.027   0.349  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.239  -0.354  -0.716  1.00  0.00           C  
HETATM   13  B   UNL     1      -3.711  -0.177  -0.122  1.00  0.00           B1-
HETATM   14  O   UNL     1      -3.899   1.126   0.248  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.631  -0.518  -1.073  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.862  -0.987   0.969  1.00  0.00           O  
HETATM   17  HXT UNL     1       3.047  -3.337   0.695  1.00  0.00           H  
HETATM   18  HA  UNL     1       3.371   0.211   1.084  1.00  0.00           H  
HETATM   19  H   UNL     1       1.053  -0.344   1.748  1.00  0.00           H  
HETATM   20  H   UNL     1       0.090   1.948   1.499  1.00  0.00           H  
HETATM   21  H   UNL     1       1.811   1.995   1.953  1.00  0.00           H  
HETATM   22  H   UNL     1       0.684   2.308  -0.868  1.00  0.00           H  
HETATM   23  H   UNL     1       1.369   3.608   0.138  1.00  0.00           H  
HETATM   24  H   UNL     1       3.036   2.756  -1.498  1.00  0.00           H  
HETATM   25  H   UNL     1       3.549   2.438   0.176  1.00  0.00           H  
HETATM   26  H   UNL     1       3.771   0.511  -1.306  1.00  0.00           H  
HETATM   27  H   UNL     1       0.321   0.503  -1.090  1.00  0.00           H  
HETATM   28  H   UNL     1       0.350  -1.181  -0.516  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.330  -0.618   1.219  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.359   1.066   0.644  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.119   0.292  -1.586  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.089  -1.393  -1.011  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.279   1.437   0.923  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.557  -1.431  -1.383  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.734  -0.930   1.383  1.00  0.00           H  
CONECT    1    2   17                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    9    5   18                                       
CONECT    5   10    4    6   19                                       
CONECT    6    5    7   20   21                                       
CONECT    7    8    6   22   23                                       
CONECT    8    9    7   24   25                                       
CONECT    9    4    8   26                                            
CONECT   10   11    5   27   28                                       
CONECT   11   12   10   29   30                                       
CONECT   12   13   11   31   32                                       
CONECT   13   15   16   14   12                                       
CONECT   14   13   33                                                 
CONECT   15   13   34                                                 
CONECT   16   13   35                                                 
CONECT   17    1                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
