COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.945   0.976  -2.022  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.321   0.814  -2.148  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.094   0.497  -1.073  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.503   0.327   0.191  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.277  -0.001   1.318  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.672  -0.159   2.527  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.295   0.001   2.666  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.515   0.318   1.596  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.103   0.488   0.334  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.326   0.818  -0.798  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.583   1.025  -0.650  1.00  0.00           S  
HETATM   12  C   UNL     1       0.006  -0.632  -0.545  1.00  0.00           C  
HETATM   13  C   UNL     1       1.359  -0.883  -0.290  1.00  0.00           C  
HETATM   14  C   UNL     1       2.530  -0.022  -0.066  1.00  0.00           C  
HETATM   15  C   UNL     1       2.730   1.372  -0.023  1.00  0.00           C  
HETATM   16  O   UNL     1       1.800   2.141  -0.196  1.00  0.00           O  
HETATM   17  N   UNL     1       3.977   1.835   0.215  1.00  0.00           N  
HETATM   18  C   UNL     1       5.005   0.961   0.406  1.00  0.00           C  
HETATM   19  N   UNL     1       6.261   1.456   0.645  1.00  0.00           N  
HETATM   20  N   UNL     1       4.830  -0.341   0.368  1.00  0.00           N  
HETATM   21  C   UNL     1       3.621  -0.874   0.137  1.00  0.00           C  
HETATM   22  N   UNL     1       3.183  -2.169   0.050  1.00  0.00           N  
HETATM   23  C   UNL     1       1.823  -2.204  -0.207  1.00  0.00           C  
HETATM   24  C   UNL     1       0.927  -3.255  -0.380  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.405  -2.997  -0.630  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.869  -1.694  -0.707  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.354   1.223  -2.891  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.783   0.943  -3.116  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.161   0.376  -1.191  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.345  -0.127   1.225  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.269  -0.410   3.391  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.840  -0.130   3.637  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.449   0.439   1.719  1.00  0.00           H  
HETATM   34  H   UNL     1       4.141   2.790   0.249  1.00  0.00           H  
HETATM   35  H   UNL     1       6.407   2.414   0.677  1.00  0.00           H  
HETATM   36  H   UNL     1       7.004   0.847   0.783  1.00  0.00           H  
HETATM   37  H   UNL     1       3.747  -2.952   0.153  1.00  0.00           H  
HETATM   38  H   UNL     1       1.276  -4.275  -0.322  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.093  -3.819  -0.763  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.914  -1.505  -0.904  1.00  0.00           H  
CONECT    1    2    2   10   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    9    5                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7   31                                       
CONECT    7    8    8    6   32                                       
CONECT    8    9    7    7   33                                       
CONECT    9   10   10    4    8                                       
CONECT   10    1   11    9    9                                       
CONECT   11   12   10                                                 
CONECT   12   26   26   13   11                                       
CONECT   13   23   23   14   12                                       
CONECT   14   21   21   13   15                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   34                                            
CONECT   18   20   20   19   17                                       
CONECT   19   18   35   36                                            
CONECT   20   21   18   18                                            
CONECT   21   22   20   14   14                                       
CONECT   22   23   21   37                                            
CONECT   23   24   22   13   13                                       
CONECT   24   25   25   23   38                                       
CONECT   25   24   24   26   39                                       
CONECT   26   25   12   12   40                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   22                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
