COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.094   0.399   0.346  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.836  -0.967   0.468  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.563  -1.440   0.429  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.471  -0.556   0.263  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.735   0.814   0.140  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.044   1.286   0.182  1.00  0.00           C  
HETATM    7  C   UNL     1       1.665   0.134   0.045  1.00  0.00           C  
HETATM    8  C   UNL     1       3.128  -0.011  -0.041  1.00  0.00           C  
HETATM    9  C   UNL     1       5.604   0.154  -0.228  1.00  0.00           C  
HETATM   10  C   UNL     1       5.089  -1.076  -0.063  1.00  0.00           C  
HETATM   11  N   UNL     1       0.834  -0.844   0.202  1.00  0.00           N  
HETATM   12  S   UNL     1       0.799   1.661  -0.052  1.00  0.00           S  
HETATM   13  S   UNL     1       4.273   1.310  -0.255  1.00  0.00           S  
HETATM   14  N   UNL     1       3.782  -1.138   0.034  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.407   0.869   0.383  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.411   0.088  -0.044  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.885   0.182  -0.068  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.921  -1.085  -0.686  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.518  -1.232  -0.697  1.00  0.00           C  
HETATM   20  O   UNL     1       5.873  -2.187  -0.002  1.00  0.00           O  
HETATM   21  H   UNL     1      -3.658  -1.656   0.596  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.383  -2.500   0.525  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.241   2.343   0.087  1.00  0.00           H  
HETATM   24  H   UNL     1       6.653   0.394  -0.325  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.594   1.760   0.717  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.619   0.908   0.250  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.729  -1.713  -1.030  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.823  -1.984  -1.038  1.00  0.00           H  
HETATM   29  H   UNL     1       6.161  -2.416   0.892  1.00  0.00           H  
CONECT    1    2    6    6   15                                       
CONECT    2    1    3    3   21                                       
CONECT    3    2    2    4   22                                       
CONECT    4    3    5    5   11                                       
CONECT    5    4    4    6   12                                       
CONECT    6    1    1    5   23                                       
CONECT    7    8   11   11   12                                       
CONECT    8    7   13   14   14                                       
CONECT    9   10   10   13   24                                       
CONECT   10    9    9   14   20                                       
CONECT   11    4    7    7                                            
CONECT   12    5    7                                                 
CONECT   13    8    9                                                 
CONECT   14    8    8   10                                            
CONECT   15    1   16   25                                            
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   26                                       
CONECT   18   17   19   19   27                                       
CONECT   19   16   18   18   28                                       
CONECT   20   10   29                                                 
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    6                                                      
CONECT   24    9                                                      
CONECT   25   15                                                      
CONECT   26   17                                                      
CONECT   27   18                                                      
CONECT   28   19                                                      
CONECT   29   20                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
