COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.427   0.437   0.534  1.00  0.00           C  
HETATM    2  C   UNL     1       2.747   1.415  -0.863  1.00  0.00           C  
HETATM    3  C   UNL     1       1.791   1.151   0.101  1.00  0.00           C  
HETATM    4  C   UNL     1       2.155   0.536   1.284  1.00  0.00           C  
HETATM    5  C   UNL     1       5.862   0.041   0.768  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.782  -0.946  -0.192  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.106  -1.602  -0.589  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.252  -0.740  -0.125  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.795  -0.930   1.132  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.846  -0.140   1.558  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.355   0.841   0.726  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.811   1.031  -0.530  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.757   0.244  -0.954  1.00  0.00           C  
HETATM   14  C   UNL     1       0.359  -1.864  -0.546  1.00  0.00           C  
HETATM   15  C   UNL     1       0.633  -3.084   0.295  1.00  0.00           C  
HETATM   16  C   UNL     1       4.064   1.058  -0.646  1.00  0.00           C  
HETATM   17  C   UNL     1       3.472   0.173   1.498  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.630   0.322  -0.911  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.485   1.734   1.108  1.00  0.00           O  
HETATM   20  O   UNL     1       1.054  -1.622  -1.503  1.00  0.00           O  
HETATM   21  O   UNL     1       1.757  -3.788  -0.238  1.00  0.00           O  
HETATM   22  O   UNL     1       0.133   2.658  -1.131  1.00  0.00           O  
HETATM   23  S   UNL     1       0.112   1.607  -0.175  1.00  0.00           S  
HETATM   24  H   UNL     1       2.463   1.895  -1.788  1.00  0.00           H  
HETATM   25  H   UNL     1       1.409   0.330   2.037  1.00  0.00           H  
HETATM   26  H   UNL     1       6.026  -0.969   0.394  1.00  0.00           H  
HETATM   27  H   UNL     1       6.520   0.734   0.243  1.00  0.00           H  
HETATM   28  H   UNL     1       6.079   0.073   1.836  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.777  -0.758   0.882  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.148  -1.709  -1.673  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.179  -2.585  -0.124  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.398  -1.696   1.781  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.271  -0.289   2.539  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.177   1.457   1.059  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.209   1.797  -1.180  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.330   0.395  -1.935  1.00  0.00           H  
HETATM   37  H   UNL     1       0.849  -2.779   1.319  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.241  -3.735   0.287  1.00  0.00           H  
HETATM   39  H   UNL     1       4.811   1.264  -1.399  1.00  0.00           H  
HETATM   40  H   UNL     1       3.754  -0.316   2.419  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.964   0.408  -1.817  1.00  0.00           H  
HETATM   42  H   UNL     1       1.991  -4.586   0.254  1.00  0.00           H  
CONECT    1   16   16   17    5                                       
CONECT    2    3    3   16   24                                       
CONECT    3   23    2    2    4                                       
CONECT    4    3   17   17   25                                       
CONECT    5    1   26   27   28                                       
CONECT    6   18    7   14   29                                       
CONECT    7    6    8   30   31                                       
CONECT    8    9    7   13   13                                       
CONECT    9   10   10    8   32                                       
CONECT   10    9    9   11   33                                       
CONECT   11   10   12   12   34                                       
CONECT   12   11   11   13   35                                       
CONECT   13    8    8   12   36                                       
CONECT   14    6   15   20   20                                       
CONECT   15   14   21   37   38                                       
CONECT   16    2    1    1   39                                       
CONECT   17    4    4    1   40                                       
CONECT   18   23    6   41                                            
CONECT   19   23   23                                                 
CONECT   20   14   14                                                 
CONECT   21   15   42                                                 
CONECT   22   23   23                                                 
CONECT   23   22   22   19   19                                       
CONECT   23   18    3                                                 
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
