COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.588  -0.145   0.597  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.900   1.045   0.760  1.00  0.00           C  
HETATM    3  C   UNL     1       0.462   1.092   0.548  1.00  0.00           C  
HETATM    4  C   UNL     1       4.845  -0.634  -0.570  1.00  0.00           C  
HETATM    5  C   UNL     1       4.787   0.834  -0.221  1.00  0.00           C  
HETATM    6  C   UNL     1       0.450  -1.259   0.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.913  -1.295   0.226  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.641   0.265  -1.059  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.871  -0.231   1.073  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.611   0.055  -0.173  1.00  0.00           C  
HETATM   11  S   UNL     1      -3.940   0.172  -0.720  1.00  0.00           S  
HETATM   12  C   UNL     1      -3.076  -0.190   0.829  1.00  0.00           C  
HETATM   13  C   UNL     1       1.146  -0.062   0.169  1.00  0.00           C  
HETATM   14  B   UNL     1       2.697  -0.014  -0.074  1.00  0.00           B  
HETATM   15  O   UNL     1       3.501  -1.119  -0.461  1.00  0.00           O  
HETATM   16  O   UNL     1       5.694  -1.326   0.348  1.00  0.00           O  
HETATM   17  O   UNL     1       3.510   1.136   0.058  1.00  0.00           O  
HETATM   18  O   UNL     1       5.722   1.599  -0.198  1.00  0.00           O  
HETATM   19  H   UNL     1      -1.432   1.938   1.054  1.00  0.00           H  
HETATM   20  H   UNL     1       0.997   2.022   0.675  1.00  0.00           H  
HETATM   21  H   UNL     1       5.210  -0.764  -1.589  1.00  0.00           H  
HETATM   22  H   UNL     1       0.976  -2.157  -0.277  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.453  -2.222   0.105  1.00  0.00           H  
HETATM   24  H   UNL     1      -7.561   0.201  -0.758  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.448   0.478  -1.986  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.791  -0.295   1.374  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.359  -1.183   1.180  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.349   0.551   1.580  1.00  0.00           H  
HETATM   29  H   UNL     1       5.747  -2.279   0.193  1.00  0.00           H  
CONECT    1    2    2    7   12                                       
CONECT    2    3    1    1   19                                       
CONECT    3   13   13    2   20                                       
CONECT    4    5   16   15   21                                       
CONECT    5   18   18    4   17                                       
CONECT    6   13    7    7   22                                       
CONECT    7    6    6    1   23                                       
CONECT    8   10   24   25                                            
CONECT    9   10   10   26                                            
CONECT   10   11    9    9    8                                       
CONECT   11   12   10                                                 
CONECT   12    1   11   27   28                                       
CONECT   13   14    3    3    6                                       
CONECT   14   17   15   13                                            
CONECT   15    4   14                                                 
CONECT   16    4   29                                                 
CONECT   17    5   14                                                 
CONECT   18    5    5                                                 
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
