COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.247  -0.440  -0.079  1.00  0.00           C  
HETATM    2  C   UNL     1       3.864  -0.091  -0.779  1.00  0.00           C  
HETATM    3  C   UNL     1       5.619  -1.539  -0.501  1.00  0.00           C  
HETATM    4  C   UNL     1       1.581   0.261   0.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.426   1.788   1.304  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.430   1.855   0.149  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.378   0.657   0.216  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.434   0.782  -0.884  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.324  -1.141   0.147  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.440  -0.331  -0.743  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.464  -0.423  -1.605  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.638  -0.554   0.032  1.00  0.00           O  
HETATM   13  B   UNL     1      -1.574  -0.702   0.972  1.00  0.00           B  
HETATM   14  O   UNL     1      -1.411  -1.902   1.714  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.585   0.513   1.157  1.00  0.00           C  
HETATM   16  N   UNL     1       0.286   0.626  -0.015  1.00  0.00           N  
HETATM   17  O   UNL     1       2.025  -0.161   1.116  1.00  0.00           O  
HETATM   18  C   UNL     1       2.477   0.377  -1.137  1.00  0.00           C  
HETATM   19  S   UNL     1       5.152   0.933  -0.159  1.00  0.00           S  
HETATM   20  C   UNL     1       4.305  -1.345  -0.892  1.00  0.00           C  
HETATM   21  H   UNL     1       7.271  -0.402   0.263  1.00  0.00           H  
HETATM   22  H   UNL     1       6.098  -2.506  -0.536  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.774   2.661   1.272  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.961   1.766   2.254  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.006   2.778   0.223  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.892   1.838  -0.799  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.869   0.638   1.189  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.940   1.743  -0.794  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.952   0.715  -1.859  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.084  -1.154  -1.474  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.074  -2.578   1.519  1.00  0.00           H  
HETATM   32  H   UNL     1       0.018   0.364   2.053  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.069   0.964  -0.853  1.00  0.00           H  
HETATM   34  H   UNL     1       2.517   1.418  -1.460  1.00  0.00           H  
HETATM   35  H   UNL     1       2.082  -0.239  -1.944  1.00  0.00           H  
HETATM   36  H   UNL     1       3.682  -2.149  -1.255  1.00  0.00           H  
CONECT    1   19    3    3   21                                       
CONECT    2   19   18   20   20                                       
CONECT    3    1    1   20   22                                       
CONECT    4   16   17   17   18                                       
CONECT    5    6   15   23   24                                       
CONECT    6    7    5   25   26                                       
CONECT    7    8    6   12   27                                       
CONECT    8   10    7   28   29                                       
CONECT    9   10   10                                                 
CONECT   10    9    9    8   11                                       
CONECT   11   10   30                                                 
CONECT   12    7   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   31                                                 
CONECT   15    5   13   16   32                                       
CONECT   16   15    4   33                                            
CONECT   17    4    4                                                 
CONECT   18    4    2   34   35                                       
CONECT   19    1    2                                                 
CONECT   20    2    2    3   36                                       
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
