COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.030   1.934  -0.956  1.00  0.00           O  
HETATM    2  C   UNL     1       1.355   1.206   0.071  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.154   1.419  -0.054  1.00  0.00           C  
HETATM    4  C   UNL     1       1.643  -0.292  -0.082  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.449   2.809   0.092  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.895   0.627   1.028  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.330   0.615   0.648  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.431  -0.848   1.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.531  -0.185  -0.585  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.914  -0.841  -0.577  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.215  -1.463  -0.518  1.00  0.00           S  
HETATM   12  O   UNL     1       0.970  -0.985   0.968  1.00  0.00           O  
HETATM   13  C   UNL     1       3.150  -0.540   0.018  1.00  0.00           C  
HETATM   14  O   UNL     1       3.424  -1.919  -0.241  1.00  0.00           O  
HETATM   15  H   UNL     1       2.993   1.843  -0.935  1.00  0.00           H  
HETATM   16  H   UNL     1       1.694   1.548   1.048  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.486   1.080  -1.036  1.00  0.00           H  
HETATM   18  H   UNL     1       1.276  -0.641  -1.048  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.024   3.373  -0.569  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.755   1.082   2.009  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.901   0.266   1.403  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.825  -1.369   1.891  1.00  0.00           H  
HETATM   23  H   UNL     1       4.362  -2.149  -0.195  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.412   0.441  -1.469  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.681  -0.069  -0.526  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.044  -1.424  -1.488  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.000  -1.496   0.290  1.00  0.00           H  
HETATM   28  H   UNL     1       3.669   0.077  -0.715  1.00  0.00           H  
HETATM   29  H   UNL     1       3.495  -0.283   1.019  1.00  0.00           H  
CONECT    1    2   15                                                 
CONECT    2    1    3    4   16                                       
CONECT    3    2    5    6   17                                       
CONECT    4    2   12   13   18                                       
CONECT    5    3   19                                                 
CONECT    6    3    7    8   20                                       
CONECT    7    6    9   21                                            
CONECT    8    6   11   12   22                                       
CONECT    9    7   10   11   24                                       
CONECT   10    9   25   26   27                                       
CONECT   11    9    8                                                 
CONECT   12    8    4                                                 
CONECT   13    4   14   28   29                                       
CONECT   14   13   23                                                 
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23   14                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
