COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.416   2.585   0.171  1.00  0.00           C  
HETATM    2  C   UNL     1       2.697   0.941  -0.126  1.00  0.00           C  
HETATM    3  C   UNL     1       2.305  -0.050   0.985  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.321  -0.478   0.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.880  -0.101  -1.184  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.956   0.766  -1.206  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.473   1.256  -0.022  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.914   0.879   1.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.838   0.012   1.207  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.646   2.202  -0.046  1.00  0.00           C  
HETATM   11  C   UNL     1       2.264  -0.154  -1.117  1.00  0.00           C  
HETATM   12  N   UNL     1       1.424  -0.674  -0.021  1.00  0.00           N  
HETATM   13  O   UNL     1       4.095   1.234  -0.167  1.00  0.00           O  
HETATM   14  O   UNL     1       0.038  -2.203   1.333  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.010  -2.326  -1.163  1.00  0.00           O  
HETATM   16  S   UNL     1       0.046  -1.590   0.051  1.00  0.00           S  
HETATM   17  H   UNL     1       3.924   3.261  -0.528  1.00  0.00           H  
HETATM   18  H   UNL     1       4.073   2.797   1.184  1.00  0.00           H  
HETATM   19  H   UNL     1       5.495   2.727   0.116  1.00  0.00           H  
HETATM   20  H   UNL     1       2.074   1.835  -0.159  1.00  0.00           H  
HETATM   21  H   UNL     1       3.123  -0.692   1.311  1.00  0.00           H  
HETATM   22  H   UNL     1       1.768   0.410   1.814  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.477  -0.484  -2.110  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.393   1.061  -2.149  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.318   1.262   2.110  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.401  -0.282   2.150  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.574   1.632  -0.003  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.591   2.872   0.813  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.622   2.788  -0.965  1.00  0.00           H  
HETATM   30  H   UNL     1       1.694   0.223  -1.967  1.00  0.00           H  
HETATM   31  H   UNL     1       3.071  -0.826  -1.410  1.00  0.00           H  
CONECT    1   13   17   18   19                                       
CONECT    2   13   11    3   20                                       
CONECT    3    2   12   21   22                                       
CONECT    4   16    5    5    9                                       
CONECT    5    4    4    6   23                                       
CONECT    6    5    7    7   24                                       
CONECT    7    6    6    8   10                                       
CONECT    8    9    9    7   25                                       
CONECT    9    4    8    8   26                                       
CONECT   10    7   27   28   29                                       
CONECT   11    2   12   30   31                                       
CONECT   12   11    3   16                                            
CONECT   13    1    2                                                 
CONECT   14   16   16                                                 
CONECT   15   16   16                                                 
CONECT   16   12   14   14   15                                       
CONECT   16   15    4                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
