COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.090  -1.664   1.279  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.418  -1.647   0.874  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.235  -2.601   1.273  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.510  -2.632   0.916  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.042  -1.669   0.112  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.225  -0.625  -0.348  1.00  0.00           C  
HETATM    7  S   UNL     1      -5.575   0.754  -1.377  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.924   1.337  -1.280  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.173   0.540  -0.522  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.736   0.795  -0.267  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.783  -0.170  -0.591  1.00  0.00           C  
HETATM   12  C   UNL     1       0.551   0.070  -0.354  1.00  0.00           C  
HETATM   13  C   UNL     1       0.963   1.279   0.213  1.00  0.00           C  
HETATM   14  N   UNL     1       2.255   1.712   0.531  1.00  0.00           N  
HETATM   15  C   UNL     1       2.207   3.056   1.111  1.00  0.00           C  
HETATM   16  C   UNL     1       0.717   3.436   1.126  1.00  0.00           C  
HETATM   17  C   UNL     1       0.012   2.237   0.534  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.327   2.004   0.293  1.00  0.00           C  
HETATM   19  C   UNL     1       3.380   0.996   0.334  1.00  0.00           C  
HETATM   20  O   UNL     1       4.457   1.459   0.644  1.00  0.00           O  
HETATM   21  C   UNL     1       3.299  -0.382  -0.273  1.00  0.00           C  
HETATM   22  C   UNL     1       4.685  -0.963  -0.386  1.00  0.00           C  
HETATM   23  C   UNL     1       5.210  -1.704   0.656  1.00  0.00           C  
HETATM   24  C   UNL     1       6.482  -2.237   0.553  1.00  0.00           C  
HETATM   25  C   UNL     1       7.228  -2.028  -0.591  1.00  0.00           C  
HETATM   26  C   UNL     1       6.703  -1.286  -1.633  1.00  0.00           C  
HETATM   27  C   UNL     1       5.429  -0.759  -1.533  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.884  -0.602   0.042  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.572  -0.844   1.279  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.681  -2.496   1.566  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.140  -3.435   1.269  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.084  -1.709  -0.170  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.562   2.228  -1.772  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.092  -1.107  -1.029  1.00  0.00           H  
HETATM   35  H   UNL     1       1.285  -0.681  -0.606  1.00  0.00           H  
HETATM   36  H   UNL     1       2.604   3.045   2.126  1.00  0.00           H  
HETATM   37  H   UNL     1       0.379   3.609   2.148  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.059   2.757   0.546  1.00  0.00           H  
HETATM   39  H   UNL     1       2.687  -1.023   0.361  1.00  0.00           H  
HETATM   40  H   UNL     1       2.851  -0.316  -1.265  1.00  0.00           H  
HETATM   41  H   UNL     1       4.627  -1.867   1.550  1.00  0.00           H  
HETATM   42  H   UNL     1       6.892  -2.816   1.367  1.00  0.00           H  
HETATM   43  H   UNL     1       8.222  -2.443  -0.672  1.00  0.00           H  
HETATM   44  H   UNL     1       7.286  -1.123  -2.527  1.00  0.00           H  
HETATM   45  H   UNL     1       5.019  -0.179  -2.346  1.00  0.00           H  
HETATM   46  H   UNL     1       2.769   3.755   0.492  1.00  0.00           H  
HETATM   47  H   UNL     1       0.544   4.320   0.512  1.00  0.00           H  
CONECT    1    2   29   30                                            
CONECT    2    1   28   28    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   31                                       
CONECT    5    4   32    6    6                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8                                                 
CONECT    8    7   33    9    9                                       
CONECT    9    8    8   28   10                                       
CONECT   10    9   11   18   18                                       
CONECT   11   10   34   12   12                                       
CONECT   12   11   11   35   13                                       
CONECT   13   12   17   17   14                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16   36   46                                       
CONECT   16   15   17   37   47                                       
CONECT   17   13   13   16   18                                       
CONECT   18   17   10   10   38                                       
CONECT   19   14   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   39   40   22                                       
CONECT   22   21   23   27   27                                       
CONECT   23   22   41   24   24                                       
CONECT   24   23   23   42   25                                       
CONECT   25   24   26   26   43                                       
CONECT   26   25   25   27   44                                       
CONECT   27   26   22   22   45                                       
CONECT   28    2    2    9    6                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
