COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  B   UNL     1       2.769  -0.385  -0.059  1.00  0.00           B  
HETATM    2  O   UNL     1       1.552  -1.113   0.021  1.00  0.00           O  
HETATM    3  O   UNL     1       4.075  -0.952  -0.032  1.00  0.00           O  
HETATM    4  O   UNL     1       2.879   1.034  -0.185  1.00  0.00           O  
HETATM    5  C   UNL     1       5.019   0.135  -0.108  1.00  0.00           C  
HETATM    6  C   UNL     1       4.184   1.353   0.360  1.00  0.00           C  
HETATM    7  C   UNL     1       0.493  -0.156  -0.042  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.853  -0.878   0.039  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.987   0.146  -0.029  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.276  -0.546   0.049  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.440   0.171   0.008  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.612  -0.459   0.079  1.00  0.00           N1+
HETATM   13  N   UNL     1      -4.403   1.497  -0.104  1.00  0.00           N  
HETATM   14  H   UNL     1       5.860  -0.037   0.564  1.00  0.00           H  
HETATM   15  H   UNL     1       5.365   0.275  -1.132  1.00  0.00           H  
HETATM   16  H   UNL     1       4.153   1.411   1.448  1.00  0.00           H  
HETATM   17  H   UNL     1       4.568   2.278  -0.068  1.00  0.00           H  
HETATM   18  H   UNL     1       0.555   0.393  -0.982  1.00  0.00           H  
HETATM   19  H   UNL     1       0.583   0.541   0.791  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.915  -1.427   0.979  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.942  -1.575  -0.794  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.925   0.695  -0.969  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.898   0.843   0.805  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.303  -1.512   0.131  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.438   0.049   0.049  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.640  -1.425   0.160  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.549   1.956  -0.155  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.228   2.005  -0.137  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1    7                                                 
CONECT    3    1    5                                                 
CONECT    4    1    6                                                 
CONECT    5    3    6   14   15                                       
CONECT    6    4    5   16   17                                       
CONECT    7    2    8   18   19                                       
CONECT    8    7    9   20   21                                       
CONECT    9    8   10   22   23                                       
CONECT   10    9   11   24                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   25   26                                       
CONECT   13   11   27   28                                            
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
