COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.066  -0.211   1.135  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.942   0.753   1.255  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.414  -1.635  -0.115  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.425  -0.684  -0.017  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.190   0.520   0.679  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.267   1.523   0.791  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.354   2.456  -0.205  1.00  0.00           C  
HETATM    8  O   UNL     1       1.284   0.010   1.693  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.698   1.140  -1.698  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.822   0.074  -1.575  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.697   0.196  -0.766  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.749  -0.932  -0.621  1.00  0.00           C  
HETATM   13  C   UNL     1       3.054  -0.784  -0.094  1.00  0.00           C  
HETATM   14  C   UNL     1       5.107   0.608  -0.401  1.00  0.00           C  
HETATM   15  C   UNL     1       6.381   0.788  -1.227  1.00  0.00           C  
HETATM   16  C   UNL     1       7.147   1.981  -0.716  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.056  -2.046  -0.996  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.173   2.440   1.582  1.00  0.00           O  
HETATM   19  O   UNL     1       0.557  -3.674  -0.438  1.00  0.00           O  
HETATM   20  S   UNL     1       1.097  -2.603   0.324  1.00  0.00           S  
HETATM   21  O   UNL     1       1.627  -2.770   1.632  1.00  0.00           O  
HETATM   22  N   UNL     1       2.310  -1.943  -0.591  1.00  0.00           N  
HETATM   23  C   UNL     1       4.329  -0.604  -0.920  1.00  0.00           C  
HETATM   24  O   UNL     1       6.717   2.621   0.214  1.00  0.00           O  
HETATM   25  O   UNL     1       8.307   2.332  -1.294  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.176  -1.393   0.454  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.467   2.321  -1.017  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.462   1.397  -0.073  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.705   1.907   1.927  1.00  0.00           O  
HETATM   30  H   UNL     1      -1.596  -2.564  -0.636  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.179   3.381   0.325  1.00  0.00           H  
HETATM   32  H   UNL     1       1.362  -0.306   2.603  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.572   1.046  -2.326  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.013  -0.848  -2.104  1.00  0.00           H  
HETATM   35  H   UNL     1       2.435   0.110  -0.181  1.00  0.00           H  
HETATM   36  H   UNL     1       3.318  -0.942   0.952  1.00  0.00           H  
HETATM   37  H   UNL     1       5.371   0.449   0.645  1.00  0.00           H  
HETATM   38  H   UNL     1       4.488   1.501  -0.488  1.00  0.00           H  
HETATM   39  H   UNL     1       7.000  -0.106  -1.140  1.00  0.00           H  
HETATM   40  H   UNL     1       6.117   0.946  -2.273  1.00  0.00           H  
HETATM   41  H   UNL     1       2.527  -2.325  -1.456  1.00  0.00           H  
HETATM   42  H   UNL     1       4.948  -1.497  -0.833  1.00  0.00           H  
HETATM   43  H   UNL     1       4.065  -0.445  -1.966  1.00  0.00           H  
HETATM   44  H   UNL     1       8.762   3.104  -0.931  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.159   3.143  -1.119  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.362   2.622   1.373  1.00  0.00           H  
CONECT    1   26    8    2    2                                       
CONECT    2    1    1   29    5                                       
CONECT    3   26   26    4   30                                       
CONECT    4    3    5    5   12                                       
CONECT    5    4    4    2    6                                       
CONECT    6    5   28   18   18                                       
CONECT    7   28   28   27   31                                       
CONECT    8    1   32                                                 
CONECT    9   27   27   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   28   12                                       
CONECT   12   11    4   17   17                                       
CONECT   13   22   23   35   36                                       
CONECT   14   23   15   37   38                                       
CONECT   15   14   16   39   40                                       
CONECT   16   15   25   24   24                                       
CONECT   17   12   12                                                 
CONECT   18    6    6                                                 
CONECT   19   20   20                                                 
CONECT   20   21   21   26   22                                       
CONECT   20   19   19                                                 
CONECT   21   20   20                                                 
CONECT   22   20   13   41                                            
CONECT   23   13   14   42   43                                       
CONECT   24   16   16                                                 
CONECT   25   16   44                                                 
CONECT   26   20    1    3    3                                       
CONECT   27    7    9    9   45                                       
CONECT   28    6    7    7   11                                       
CONECT   29    2   46                                                 
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
