COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.307   0.406  -4.308  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.060  -0.042  -3.175  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.169  -0.024  -1.974  1.00  0.00           C  
HETATM    4  C   UNL     1       0.184   0.011  -1.997  1.00  0.00           C  
HETATM    5  C   UNL     1       0.894   0.027  -3.347  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.133  -0.400  -4.402  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.588  -0.037  -0.258  1.00  0.00           S  
HETATM    8  C   UNL     1       0.006   0.007   0.419  1.00  0.00           C  
HETATM    9  C   UNL     1       0.829   0.035  -0.702  1.00  0.00           C  
HETATM   10  C   UNL     1       2.287   0.083  -0.577  1.00  0.00           C  
HETATM   11  O   UNL     1       2.997  -1.062  -0.517  1.00  0.00           O  
HETATM   12  O   UNL     1       2.859   1.156  -0.528  1.00  0.00           O  
HETATM   13  N   UNL     1       0.372   0.017   1.753  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.574  -0.009   2.712  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.179   0.002   4.152  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.124  -0.024   5.109  1.00  0.00           O  
HETATM   17  O   UNL     1       0.993   0.034   4.458  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.748  -0.041   2.405  1.00  0.00           O  
HETATM   19  H   UNL     1      -2.417  -1.057  -3.350  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.908   0.623  -3.012  1.00  0.00           H  
HETATM   21  H   UNL     1       1.729  -0.674  -3.336  1.00  0.00           H  
HETATM   22  H   UNL     1       1.255   1.032  -3.565  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.400  -1.444  -4.243  1.00  0.00           H  
HETATM   24  H   UNL     1       0.301  -0.289  -5.395  1.00  0.00           H  
HETATM   25  H   UNL     1       3.960  -1.030  -0.434  1.00  0.00           H  
HETATM   26  H   UNL     1       1.310   0.043   1.999  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.868  -0.017   6.042  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   19   20                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6   21   22                                       
CONECT    6    1    5   23   24                                       
CONECT    7    3    8                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   25                                                 
CONECT   12   10   10                                                 
CONECT   13    8   14   26                                            
CONECT   14   13   15   18   18                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   27                                                 
CONECT   17   15   15                                                 
CONECT   18   14   14                                                 
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25   11                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
