COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.761  -2.103  -1.793  1.00  0.00           C  
HETATM    2  C   UNL     1       4.494  -2.358  -1.019  1.00  0.00           C  
HETATM    3  C   UNL     1       4.061  -3.629  -0.811  1.00  0.00           C  
HETATM    4  C   UNL     1       2.877  -3.854  -0.087  1.00  0.00           C  
HETATM    5  C   UNL     1       2.169  -2.815   0.401  1.00  0.00           C  
HETATM    6  C   UNL     1       3.749  -1.279  -0.498  1.00  0.00           C  
HETATM    7  C   UNL     1       3.910   2.917   0.451  1.00  0.00           C  
HETATM    8  C   UNL     1       3.762   4.280   0.609  1.00  0.00           C  
HETATM    9  C   UNL     1       1.515   2.686   0.289  1.00  0.00           C  
HETATM   10  C   UNL     1       2.078  -0.321   0.586  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.289  -0.403   0.774  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.443   1.497  -0.605  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.950   2.435  -1.484  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.558   0.360  -0.620  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.166  -1.724   0.913  1.00  0.00           C  
HETATM   16  N   UNL     1       2.591  -1.530   0.200  1.00  0.00           N  
HETATM   17  N   UNL     1       3.937   0.031  -0.545  1.00  0.00           N  
HETATM   18  C   UNL     1       2.938   0.647   0.109  1.00  0.00           C  
HETATM   19  C   UNL     1       2.785   2.110   0.287  1.00  0.00           C  
HETATM   20  C   UNL     1       2.500   4.846   0.606  1.00  0.00           C  
HETATM   21  C   UNL     1       1.379   4.051   0.444  1.00  0.00           C  
HETATM   22  N   UNL     1       0.909  -0.109   1.318  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.347  -0.935  -0.314  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.556  -0.071   1.519  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.714  -0.487   0.724  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.241   0.448  -0.164  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.253   2.340  -1.934  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.058   1.301  -1.505  1.00  0.00           C  
HETATM   29  S   UNL     1      -5.576  -0.972  -0.070  1.00  0.00           S  
HETATM   30  C   UNL     1      -4.354  -2.292   0.188  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.590  -2.431   1.713  1.00  0.00           O  
HETATM   32  H   UNL     1       6.193  -3.053  -2.107  1.00  0.00           H  
HETATM   33  H   UNL     1       5.535  -1.499  -2.672  1.00  0.00           H  
HETATM   34  H   UNL     1       6.473  -1.571  -1.161  1.00  0.00           H  
HETATM   35  H   UNL     1       4.624  -4.464  -1.201  1.00  0.00           H  
HETATM   36  H   UNL     1       2.532  -4.864   0.079  1.00  0.00           H  
HETATM   37  H   UNL     1       1.261  -3.000   0.956  1.00  0.00           H  
HETATM   38  H   UNL     1       4.896   2.477   0.449  1.00  0.00           H  
HETATM   39  H   UNL     1       4.633   4.905   0.737  1.00  0.00           H  
HETATM   40  H   UNL     1       0.639   2.066   0.163  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.422   1.577  -0.262  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.323   3.247  -1.822  1.00  0.00           H  
HETATM   43  H   UNL     1       2.388   5.913   0.731  1.00  0.00           H  
HETATM   44  H   UNL     1       0.396   4.498   0.442  1.00  0.00           H  
HETATM   45  H   UNL     1       0.958   0.250   2.217  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.564  -0.596   2.474  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.603   1.004   1.695  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.643   3.077  -2.621  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.077   1.225  -1.855  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.037  -2.689  -0.777  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.799  -3.090   0.783  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    6    1    3    3                                       
CONECT    3    2    2    4   35                                       
CONECT    4    5    5    3   36                                       
CONECT    5   16    4    4   37                                       
CONECT    6   17   17   16    2                                       
CONECT    7    8   19   19   38                                       
CONECT    8   20   20    7   39                                       
CONECT    9   21   21   19   40                                       
CONECT   10   22   18   18   16                                       
CONECT   11   24   22   23   23                                       
CONECT   12   13   26   26   41                                       
CONECT   13   27   27   12   42                                       
CONECT   14   28   28   26   29                                       
CONECT   15   25   30   31   31                                       
CONECT   16   10    6    5                                            
CONECT   17   18    6    6                                            
CONECT   18   19   10   10   17                                       
CONECT   19    7    7    9   18                                       
CONECT   20    8    8   21   43                                       
CONECT   21   20    9    9   44                                       
CONECT   22   10   11   45                                            
CONECT   23   11   11                                                 
CONECT   24   25   11   46   47                                       
CONECT   25   26   24   15                                            
CONECT   26   12   12   14   25                                       
CONECT   27   13   13   28   48                                       
CONECT   28   27   14   14   49                                       
CONECT   29   14   30                                                 
CONECT   30   29   15   50   51                                       
CONECT   31   15   15                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
