COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.958   1.496  -0.822  1.00  0.00           C  
HETATM    2  C   UNL     1       2.836  -1.234   1.437  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.666  -0.614   0.315  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.223  -0.266   0.059  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.384   0.383   0.902  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.166   0.450   0.186  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.379  -0.134  -0.957  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.513  -0.543  -1.044  1.00  0.00           O  
HETATM    9  C   UNL     1       0.123   1.075   0.655  1.00  0.00           C  
HETATM   10  C   UNL     1       0.134   2.579   0.307  1.00  0.00           C  
HETATM   11  C   UNL     1       1.607   2.828  -0.112  1.00  0.00           C  
HETATM   12  N   UNL     1       1.260   0.458  -0.042  1.00  0.00           N  
HETATM   13  S   UNL     1       1.688  -1.140   0.036  1.00  0.00           S  
HETATM   14  O   UNL     1       2.372  -1.380  -1.186  1.00  0.00           O  
HETATM   15  O   UNL     1       0.474  -1.813   0.340  1.00  0.00           O  
HETATM   16  H   UNL     1       1.594   1.507  -1.849  1.00  0.00           H  
HETATM   17  H   UNL     1       3.034   1.327  -0.803  1.00  0.00           H  
HETATM   18  H   UNL     1       2.330  -0.904   2.344  1.00  0.00           H  
HETATM   19  H   UNL     1       3.172  -2.263   1.563  1.00  0.00           H  
HETATM   20  H   UNL     1       3.696  -0.592   1.246  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.303   0.201  -0.029  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.921  -1.527  -0.225  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.819  -0.769   1.383  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.596   0.761   1.891  1.00  0.00           H  
HETATM   25  H   UNL     1       0.230   0.941   1.731  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.543   2.788  -0.521  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.129   3.178   1.178  1.00  0.00           H  
HETATM   28  H   UNL     1       2.240   2.984   0.761  1.00  0.00           H  
HETATM   29  H   UNL     1       1.680   3.669  -0.801  1.00  0.00           H  
CONECT    1   11   12   16   17                                       
CONECT    2   13   18   19   20                                       
CONECT    3    4   21   22   23                                       
CONECT    4    8    5    5    3                                       
CONECT    5    6    4    4   24                                       
CONECT    6    9    7    7    5                                       
CONECT    7    6    6    8                                            
CONECT    8    7    4                                                 
CONECT    9   10   12    6   25                                       
CONECT   10   11    9   26   27                                       
CONECT   11    1   10   28   29                                       
CONECT   12    1    9   13                                            
CONECT   13   12    2   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
