COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       2.045   1.337  -1.513  1.00  0.00           N  
HETATM    2  C   UNK     1       1.502   0.116  -0.902  1.00  0.00           C  
HETATM    3  C   UNK     1       2.417  -0.332   0.240  1.00  0.00           C  
HETATM    4  C   UNK     1       3.817  -0.616  -0.310  1.00  0.00           C  
HETATM    5  C   UNK     1       1.852  -1.604   0.877  1.00  0.00           C  
HETATM    6  C   UNK     1       4.762  -0.943   0.848  1.00  0.00           C  
HETATM    7  C   UNK     1       0.124   0.395  -0.361  1.00  0.00           C  
HETATM    8  N   UNK     1      -0.895  -0.373  -0.519  1.00  0.00           N  
HETATM    9  S   UNK     1      -0.301   1.773   0.555  1.00  0.00           S  
HETATM   10  C   UNK     1      -2.033   0.048   0.038  1.00  0.00           C  
HETATM   11  C   UNK     1      -1.916   1.230   0.686  1.00  0.00           C  
HETATM   12  C   UNK     1      -3.296  -0.703  -0.043  1.00  0.00           C  
HETATM   13  O   UNK     1      -4.299  -0.265   0.486  1.00  0.00           O  
HETATM   14  H   UNK     1       1.494   1.617  -2.311  1.00  0.00           H  
HETATM   15  H   UNK     1       2.108   2.083  -0.837  1.00  0.00           H  
HETATM   16  H   UNK     1       1.445  -0.672  -1.653  1.00  0.00           H  
HETATM   17  H   UNK     1       2.474   0.456   0.991  1.00  0.00           H  
HETATM   18  H   UNK     1       3.773  -1.463  -0.994  1.00  0.00           H  
HETATM   19  H   UNK     1       4.183   0.262  -0.841  1.00  0.00           H  
HETATM   20  H   UNK     1       2.504  -1.923   1.690  1.00  0.00           H  
HETATM   21  H   UNK     1       0.855  -1.401   1.268  1.00  0.00           H  
HETATM   22  H   UNK     1       1.795  -2.392   0.126  1.00  0.00           H  
HETATM   23  H   UNK     1       4.805  -0.096   1.533  1.00  0.00           H  
HETATM   24  H   UNK     1       4.396  -1.822   1.379  1.00  0.00           H  
HETATM   25  H   UNK     1       5.759  -1.145   0.456  1.00  0.00           H  
HETATM   26  H   UNK     1      -2.712   1.745   1.204  1.00  0.00           H  
HETATM   27  O   UNK     1      -3.340  -1.877  -0.704  1.00  0.00           O  
HETATM   28  H   UNK     1      -4.192  -2.334  -0.730  1.00  0.00           H  
CONECT    1    2   14   15                                            
CONECT    2    3    7    1   16                                       
CONECT    3    4    5    2   17                                       
CONECT    4    6    3   18   19                                       
CONECT    5    3   20   21   22                                       
CONECT    6    4   23   24   25                                       
CONECT    7    2    9    8    8                                       
CONECT    8    7    7   10                                            
CONECT    9    7   11                                                 
CONECT   10   11   11    8   12                                       
CONECT   11    9   10   10   26                                       
CONECT   12   10   13   13   27                                       
CONECT   13   12   12                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26   11                                                      
CONECT   27   12   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
