COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       4.928  -0.228  -0.590  1.00  0.00           B  
HETATM    2  O   UNL     1       5.969  -0.241   0.376  1.00  0.00           O  
HETATM    3  O   UNL     1       5.116  -0.865  -1.845  1.00  0.00           O  
HETATM    4  C   UNL     1       3.566   0.485  -0.268  1.00  0.00           C  
HETATM    5  N   UNL     1       2.690  -0.440   0.456  1.00  0.00           N  
HETATM    6  S   UNL     1       1.138   0.005   0.820  1.00  0.00           S  
HETATM    7  O   UNL     1       0.612  -1.108   1.530  1.00  0.00           O  
HETATM    8  O   UNL     1       1.274   1.274   1.445  1.00  0.00           O  
HETATM    9  C   UNL     1       0.324   0.173  -0.793  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.113   0.580  -0.590  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.450   1.921  -0.539  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.767   2.303  -0.354  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.753   1.349  -0.219  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.420  -0.007  -0.270  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.470  -1.035  -0.126  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.753  -0.666   0.055  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.178  -2.213  -0.170  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.090  -0.385  -0.463  1.00  0.00           C  
HETATM   19  H   UNL     1       5.778   0.282   1.166  1.00  0.00           H  
HETATM   20  H   UNL     1       5.983  -1.280  -1.950  1.00  0.00           H  
HETATM   21  H   UNL     1       3.754   1.365   0.347  1.00  0.00           H  
HETATM   22  H   UNL     1       3.086   0.788  -1.198  1.00  0.00           H  
HETATM   23  H   UNL     1       3.020  -1.313   0.721  1.00  0.00           H  
HETATM   24  H   UNL     1       0.838   0.934  -1.381  1.00  0.00           H  
HETATM   25  H   UNL     1       0.361  -0.780  -1.319  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.681   2.673  -0.644  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.023   3.352  -0.316  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.780   1.648  -0.074  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.406  -1.375   0.144  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.825  -1.432  -0.503  1.00  0.00           H  
CONECT    1    4    2    3                                            
CONECT    2    1   19                                                 
CONECT    3    1   20                                                 
CONECT    4    5    1   21   22                                       
CONECT    5    6    4   23                                            
CONECT    6    9    7    7    8                                       
CONECT    6    8    5                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9   10    6   24   25                                       
CONECT   10   11   11   18    9                                       
CONECT   11   12   10   10   26                                       
CONECT   12   13   13   11   27                                       
CONECT   13   12   12   14   28                                       
CONECT   14   13   15   18   18                                       
CONECT   15   17   17   14   16                                       
CONECT   16   15   29                                                 
CONECT   17   15   15                                                 
CONECT   18   14   14   10   30                                       
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   16                                                      
CONECT   30   18                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
