COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       2.404  -0.118   5.170  1.00  0.00           B  
HETATM    2  O   UNL     1       3.156   0.902   5.809  1.00  0.00           O  
HETATM    3  O   UNL     1       2.730  -1.483   5.388  1.00  0.00           O  
HETATM    4  C   UNL     1       1.213   0.262   4.221  1.00  0.00           C  
HETATM    5  C   UNL     1       0.477  -0.737   3.589  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.577  -0.394   2.757  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.322  -1.393   2.124  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.890   0.943   2.547  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.156   1.934   3.172  1.00  0.00           C  
HETATM   10  C   UNL     1       0.891   1.601   4.005  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.577  -0.983   1.126  1.00  0.00           S  
HETATM   12  O   UNL     1      -3.000  -2.197   0.519  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.404  -0.110   1.883  1.00  0.00           O  
HETATM   14  S   UNL     1      -1.712   1.769  -0.261  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.989   1.864  -1.891  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.950   0.559  -2.257  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.420  -0.397  -1.377  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.914  -0.002  -0.178  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.306   0.090  -3.828  1.00  0.00           S  
HETATM   20  O   UNL     1      -0.875  -1.179  -4.115  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.414   1.244  -4.650  1.00  0.00           O  
HETATM   22  C   UNL     1       1.420  -0.193  -3.625  1.00  0.00           C  
HETATM   23  C   UNL     1       1.879  -1.454  -3.293  1.00  0.00           C  
HETATM   24  C   UNL     1       3.234  -1.677  -3.134  1.00  0.00           C  
HETATM   25  C   UNL     1       4.130  -0.639  -3.308  1.00  0.00           C  
HETATM   26  C   UNL     1       3.672   0.621  -3.642  1.00  0.00           C  
HETATM   27  C   UNL     1       2.317   0.843  -3.805  1.00  0.00           C  
HETATM   28  H   UNL     1       3.833   0.459   6.341  1.00  0.00           H  
HETATM   29  H   UNL     1       3.483  -1.497   5.995  1.00  0.00           H  
HETATM   30  H   UNL     1       0.723  -1.776   3.753  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.103  -2.327   2.271  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.709   1.209   1.896  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.403   2.973   3.007  1.00  0.00           H  
HETATM   34  H   UNL     1       1.463   2.378   4.491  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.666   2.735  -2.442  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.400  -1.443  -1.643  1.00  0.00           H  
HETATM   37  H   UNL     1       1.179  -2.265  -3.156  1.00  0.00           H  
HETATM   38  H   UNL     1       3.592  -2.662  -2.873  1.00  0.00           H  
HETATM   39  H   UNL     1       5.189  -0.813  -3.183  1.00  0.00           H  
HETATM   40  H   UNL     1       4.372   1.432  -3.778  1.00  0.00           H  
HETATM   41  H   UNL     1       1.958   1.827  -4.066  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1   28                                                 
CONECT    3    1   29                                                 
CONECT    4    1    5    5   10                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   11   31                                            
CONECT    8    6    6    9   32                                       
CONECT    9    8   10   10   33                                       
CONECT   10    4    9    9   34                                       
CONECT   11    7   12   12   13                                       
CONECT   11   13   18                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   15   18                                                 
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18   36                                       
CONECT   18   11   14   17   17                                       
CONECT   19   16   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   23   27                                       
CONECT   23   22   22   24   37                                       
CONECT   24   23   25   25   38                                       
CONECT   25   24   24   26   39                                       
CONECT   26   25   27   27   40                                       
CONECT   27   22   26   26   41                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   26                                                      
CONECT   41   27                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
