COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.699  -1.756   0.260  1.00  0.00           O  
HETATM    2  C   UNL     1       5.563  -0.585  -0.026  1.00  0.00           C  
HETATM    3  N   UNL     1       6.508   0.308   0.325  1.00  0.00           N  
HETATM    4  C   UNL     1       6.344   1.723  -0.020  1.00  0.00           C  
HETATM    5  C   UNL     1       7.700  -0.134   1.053  1.00  0.00           C  
HETATM    6  C   UNL     1       4.340  -0.131  -0.781  1.00  0.00           C  
HETATM    7  C   UNL     1       3.311   0.470   0.200  1.00  0.00           C  
HETATM    8  N   UNL     1       3.697  -1.285  -1.435  1.00  0.00           N  
HETATM    9  C   UNL     1       2.332  -1.437  -0.887  1.00  0.00           C  
HETATM   10  C   UNL     1       1.956  -0.027  -0.367  1.00  0.00           C  
HETATM   11  S   UNL     1       0.703  -0.130   0.941  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.802  -0.574   0.030  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.983  -0.759   1.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.572  -2.164   0.866  1.00  0.00           C  
HETATM   15  CA  UNL     1      -1.227   0.583  -0.900  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.682   1.893  -0.392  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.394   2.642   0.233  1.00  0.00           O  
HETATM   18  OXT UNL     1       0.596   2.227  -0.634  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.711   0.583  -0.843  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.022   0.302   0.582  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.440  -0.256   0.719  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.579  -1.490  -0.135  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.382  -2.492   0.259  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.968  -1.578  -1.173  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.450   0.798   0.259  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.199   1.133  -1.107  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.309   2.051   1.126  1.00  0.00           C  
HETATM   28  H   UNL     1       7.202   2.287   0.344  1.00  0.00           H  
HETATM   29  H   UNL     1       6.274   1.826  -1.103  1.00  0.00           H  
HETATM   30  H   UNL     1       5.434   2.106   0.442  1.00  0.00           H  
HETATM   31  H   UNL     1       8.480  -0.406   0.342  1.00  0.00           H  
HETATM   32  H   UNL     1       8.056   0.674   1.693  1.00  0.00           H  
HETATM   33  H   UNL     1       7.451  -1.000   1.667  1.00  0.00           H  
HETATM   34  H   UNL     1       4.620   0.611  -1.528  1.00  0.00           H  
HETATM   35  H   UNL     1       3.471   0.087   1.208  1.00  0.00           H  
HETATM   36  H   UNL     1       3.358   1.559   0.188  1.00  0.00           H  
HETATM   37  H   UNL     1       3.673  -1.166  -2.437  1.00  0.00           H  
HETATM   38  H   UNL     1       1.641  -1.750  -1.670  1.00  0.00           H  
HETATM   39  H   UNL     1       2.330  -2.158  -0.069  1.00  0.00           H  
HETATM   40  H   UNL     1       1.615   0.612  -1.182  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.640  -1.484  -0.547  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.659  -0.583   2.031  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.832  -2.348  -0.176  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.837  -2.900   1.192  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.466  -2.246   1.484  1.00  0.00           H  
HETATM   46  HA  UNL     1      -0.883   0.398  -1.918  1.00  0.00           H  
HETATM   47  HXT UNL     1       0.900   3.077  -0.288  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.096  -0.130  -1.445  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.910   1.204   1.183  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.631  -0.512   1.761  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.438  -3.263  -0.322  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.460   0.400   0.356  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.803   1.798  -1.466  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.028   2.802   0.798  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.500   1.795   2.168  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.299   2.448   1.028  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    3    1    1                                       
CONECT    3    4    5    2                                            
CONECT    4    3   28   29   30                                       
CONECT    5    3   31   32   33                                       
CONECT    6    7    2    8   34                                       
CONECT    7    6   10   35   36                                       
CONECT    8    6    9   37                                            
CONECT    9    8   10   38   39                                       
CONECT   10    7    9   11   40                                       
CONECT   11   10   12                                                 
CONECT   12   13   11   15   41                                       
CONECT   13   14   20   12   42                                       
CONECT   14   13   43   44   45                                       
CONECT   15   19   12   16   46                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   47                                                 
CONECT   19   20   15   48                                            
CONECT   20   13   21   19   49                                       
CONECT   21   25   20   22   50                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   51                                                 
CONECT   24   22   22                                                 
CONECT   25   27   26   21   52                                       
CONECT   26   25   53                                                 
CONECT   27   25   54   55   56                                       
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
