COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.316   1.797  -0.459  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.442   0.830  -0.920  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.839  -0.038  -0.029  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.109   0.007   0.437  1.00  0.00           C  
HETATM    5  C   UNL     1       0.352   1.265   0.092  1.00  0.00           C  
HETATM    6  C   UNL     1       1.701   1.479  -0.104  1.00  0.00           C  
HETATM    7  C   UNL     1       2.600   0.425   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1       2.131  -0.840   0.395  1.00  0.00           C  
HETATM    9  C   UNL     1       0.779  -1.043   0.588  1.00  0.00           C  
HETATM   10  C   UNL     1       4.052   0.648  -0.162  1.00  0.00           C  
HETATM   11  C   UNL     1       4.522   1.914  -0.505  1.00  0.00           C  
HETATM   12  C   UNL     1       5.874   2.117  -0.699  1.00  0.00           C  
HETATM   13  C   UNL     1       6.761   1.066  -0.553  1.00  0.00           C  
HETATM   14  C   UNL     1       7.272  -1.334  -0.057  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.714  -2.300   0.363  1.00  0.00           O  
HETATM   16  S   UNL     1      -3.726  -1.271  -0.616  1.00  0.00           S  
HETATM   17  O   UNL     1      -4.061  -1.497  -1.979  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.110   0.061   1.323  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.984   1.028   1.784  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.582   1.900   0.894  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.210  -0.604  -0.612  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.583  -0.219   0.654  1.00  0.00           C  
HETATM   23  C   UNL     1       4.951  -0.406  -0.011  1.00  0.00           C  
HETATM   24  C   UNL     1       6.300  -0.193  -0.213  1.00  0.00           C  
HETATM   25  O   UNL     1       7.722  -1.394   1.298  1.00  0.00           O  
HETATM   26  H   UNL     1      -6.787   2.475  -1.155  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.231   0.753  -1.976  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.346   2.081  -0.025  1.00  0.00           H  
HETATM   29  H   UNL     1       2.060   2.461  -0.374  1.00  0.00           H  
HETATM   30  H   UNL     1       2.823  -1.661   0.513  1.00  0.00           H  
HETATM   31  H   UNL     1       0.414  -2.023   0.858  1.00  0.00           H  
HETATM   32  H   UNL     1       3.830   2.736  -0.619  1.00  0.00           H  
HETATM   33  H   UNL     1       6.239   3.098  -0.965  1.00  0.00           H  
HETATM   34  H   UNL     1       7.818   1.229  -0.706  1.00  0.00           H  
HETATM   35  H   UNL     1       6.779  -2.270  -0.318  1.00  0.00           H  
HETATM   36  H   UNL     1       8.126  -1.176  -0.716  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.639  -0.617   2.020  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.195   1.105   2.841  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.265   2.655   1.254  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.738  -0.469  -1.448  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.724  -1.014   1.386  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.040   0.699   1.022  1.00  0.00           H  
HETATM   43  H   UNL     1       4.593  -1.388   0.259  1.00  0.00           H  
HETATM   44  H   UNL     1       8.352  -2.106   1.472  1.00  0.00           H  
CONECT    1   20   20    2   26                                       
CONECT    2    3    3    1   27                                       
CONECT    3   18   16    2    2                                       
CONECT    4   22    5    5    9                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    8   10                                       
CONECT    8    9    9    7   30                                       
CONECT    9    4    8    8   31                                       
CONECT   10    7   11   11   23                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11   13   13   33                                       
CONECT   13   12   12   24   34                                       
CONECT   14   24   25   35   36                                       
CONECT   15   16   16                                                 
CONECT   16   15   15    3   17                                       
CONECT   16   17   21                                                 
CONECT   17   16   16                                                 
CONECT   18   19   19    3   37                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19    1    1   39                                       
CONECT   21   16   22   40                                            
CONECT   22   21    4   41   42                                       
CONECT   23   10   24   24   43                                       
CONECT   24   23   23   13   14                                       
CONECT   25   14   44                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
