COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O2* UNL     1      -0.012   2.495  -0.118  1.00  0.00           O  
HETATM    2  C2* UNL     1      -0.289   1.172  -0.581  1.00  0.00           C  
HETATM    3  C3* UNL     1      -1.815   0.939  -0.675  1.00  0.00           C  
HETATM    4  O3* UNL     1      -2.527   2.110  -0.270  1.00  0.00           O  
HETATM    5  C4* UNL     1      -2.079  -0.222   0.310  1.00  0.00           C  
HETATM    6  C5* UNL     1      -3.160  -1.155  -0.241  1.00  0.00           C  
HETATM    7  O5* UNL     1      -3.418  -2.195   0.704  1.00  0.00           O  
HETATM    8  O4* UNL     1      -0.817  -0.917   0.408  1.00  0.00           O  
HETATM    9  C1* UNL     1       0.187   0.121   0.447  1.00  0.00           C  
HETATM   10  N   UNL     1       1.492  -0.418   0.058  1.00  0.00           N  
HETATM   11  C   UNL     1       1.718  -1.541  -0.678  1.00  0.00           C  
HETATM   12  N   UNL     1       3.005  -1.698  -0.817  1.00  0.00           N  
HETATM   13  C   UNL     1       3.646  -0.697  -0.193  1.00  0.00           C  
HETATM   14  C   UNL     1       2.717   0.118   0.360  1.00  0.00           C  
HETATM   15  N   UNL     1       2.959   1.277   1.100  1.00  0.00           N  
HETATM   16  H2* UNL     1      -0.385   3.103  -0.770  1.00  0.00           H  
HETATM   17  H2* UNL     1       0.184   1.000  -1.548  1.00  0.00           H  
HETATM   18  H3* UNL     1      -2.098   0.652  -1.688  1.00  0.00           H  
HETATM   19  H3* UNL     1      -3.467   1.887  -0.290  1.00  0.00           H  
HETATM   20  H4* UNL     1      -2.375   0.167   1.284  1.00  0.00           H  
HETATM   21 H5*1 UNL     1      -4.074  -0.588  -0.417  1.00  0.00           H  
HETATM   22 H5*2 UNL     1      -2.818  -1.593  -1.179  1.00  0.00           H  
HETATM   23  H5* UNL     1      -4.103  -2.759   0.319  1.00  0.00           H  
HETATM   24  H1* UNL     1       0.239   0.561   1.443  1.00  0.00           H  
HETATM   25  H   UNL     1       0.957  -2.196  -1.076  1.00  0.00           H  
HETATM   26  H   UNL     1       4.717  -0.565  -0.140  1.00  0.00           H  
HETATM   27  H   UNL     1       3.871   1.568   1.260  1.00  0.00           H  
HETATM   28  H   UNL     1       2.217   1.793   1.450  1.00  0.00           H  
CONECT    1    2   16                                                 
CONECT    2    1    3    9   17                                       
CONECT    3    2    4    5   18                                       
CONECT    4    3   19                                                 
CONECT    5    3    6    8   20                                       
CONECT    6    5    7   21   22                                       
CONECT    7    6   23                                                 
CONECT    8    5    9                                                 
CONECT    9    2    8   10   24                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   12   25                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   26                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   27   28                                            
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   13                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
