COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.018   5.022  13.645  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.473   4.150  15.683  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.348   2.508  16.598  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.087   7.766  12.177  1.00  0.00           C  
HETATM    5  S   UNL     1      -5.844   2.607  16.597  1.00  0.00           S  
HETATM    6  O   UNL     1      -5.249   2.767  17.958  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.189   1.354  15.825  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.723   3.847  14.385  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.730   6.325  14.449  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.479   7.686  13.721  1.00  0.00           C  
HETATM   11  B   UNL     1      -3.536   9.023  14.702  1.00  0.00           B  
HETATM   12  B   UNL     1      -4.355  10.226  13.686  1.00  0.00           B  
HETATM   13  B   UNL     1      -4.734   9.332  12.193  1.00  0.00           B  
HETATM   14  B   UNL     1      -3.178   8.840  11.346  1.00  0.00           B  
HETATM   15  B   UNL     1      -3.323  10.391  12.276  1.00  0.00           B  
HETATM   16  B   UNL     1      -2.558  10.229  13.893  1.00  0.00           B  
HETATM   17  B   UNL     1      -1.982   8.510  13.978  1.00  0.00           B  
HETATM   18  B   UNL     1      -1.845   9.374  12.430  1.00  0.00           B  
HETATM   19  B   UNL     1      -2.340   7.702  12.366  1.00  0.00           B  
HETATM   20  H   UNL     1      -3.053   4.644  13.277  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.653   5.299  12.791  1.00  0.00           H  
HETATM   22  H   UNL     1      -6.416   4.662  15.443  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.852   4.802  16.314  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.392   0.512  16.324  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.570   1.295  14.902  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.450   3.411  13.684  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.950   3.102  14.623  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.594   6.480  15.111  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.834   6.126  15.056  1.00  0.00           H  
CONECT    1    8    9   20   21                                       
CONECT    2    5    8   22   23                                       
CONECT    3    5    5                                                 
CONECT    4   10   13   14   19                                       
CONECT    5    2    3    3    6                                       
CONECT    5    6    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5   24   25                                            
CONECT    8    1    2   26   27                                       
CONECT    9    1   10   28   29                                       
CONECT   10    4    9   11   17                                       
CONECT   10   19                                                      
CONECT   11   10   12   16   17                                       
CONECT   12   11   13   15   16                                       
CONECT   13    4   12   15   14                                       
CONECT   14    4   19   15   18                                       
CONECT   14   13                                                      
CONECT   15   12   13   16   18                                       
CONECT   15   14                                                      
CONECT   16   11   12   18   15                                       
CONECT   16   17                                                      
CONECT   17   10   11   18   16                                       
CONECT   17   19                                                      
CONECT   18   17   19   16   15                                       
CONECT   18   14                                                      
CONECT   19   14   18   10   17                                       
CONECT   19    4                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
