COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.176   1.953  -0.521  1.00  0.00           O  
HETATM    2  C   UNL     1       4.998   0.946   0.131  1.00  0.00           C  
HETATM    3  N   UNL     1       6.046   0.171   0.474  1.00  0.00           N  
HETATM    4  C   UNL     1       7.400   0.545   0.059  1.00  0.00           C  
HETATM    5  C   UNL     1       5.830  -1.046   1.261  1.00  0.00           C  
HETATM    6  C   UNL     1       3.605   0.564   0.563  1.00  0.00           C  
HETATM    7  C   UNL     1       3.030  -0.527  -0.374  1.00  0.00           C  
HETATM    8  N   UNL     1       2.687   1.713   0.412  1.00  0.00           N  
HETATM    9  C   UNL     1       1.377   1.211  -0.040  1.00  0.00           C  
HETATM   10  C   UNL     1       1.503  -0.319  -0.197  1.00  0.00           C  
HETATM   11  S   UNL     1       0.604  -0.890  -1.666  1.00  0.00           S  
HETATM   12  C   UNL     1      -1.081  -0.805  -1.157  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.000   0.032  -1.655  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.798   1.062  -2.736  1.00  0.00           C  
HETATM   15  CA  UNL     1      -1.702  -1.647  -0.121  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.989  -2.698   0.652  1.00  0.00           C  
HETATM   17  OXT UNL     1      -1.649  -3.416   1.580  1.00  0.00           O  
HETATM   18  O   UNL     1       0.188  -2.910   0.445  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.955  -1.347   0.027  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.283  -0.267  -0.911  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.754   0.973  -0.150  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.696   1.388   0.840  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.670   0.756   0.927  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.893   2.460   1.624  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.051   0.652   0.595  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.055   0.259  -0.343  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.523   1.893   1.356  1.00  0.00           C  
HETATM   28  H   UNL     1       7.852   1.178   0.823  1.00  0.00           H  
HETATM   29  H   UNL     1       8.002  -0.355  -0.070  1.00  0.00           H  
HETATM   30  H   UNL     1       7.354   1.090  -0.884  1.00  0.00           H  
HETATM   31  H   UNL     1       5.661  -1.888   0.589  1.00  0.00           H  
HETATM   32  H   UNL     1       6.709  -1.242   1.874  1.00  0.00           H  
HETATM   33  H   UNL     1       4.960  -0.913   1.904  1.00  0.00           H  
HETATM   34  H   UNL     1       3.609   0.215   1.595  1.00  0.00           H  
HETATM   35  H   UNL     1       3.331  -0.353  -1.407  1.00  0.00           H  
HETATM   36  H   UNL     1       3.330  -1.522  -0.044  1.00  0.00           H  
HETATM   37  H   UNL     1       2.600   2.223   1.278  1.00  0.00           H  
HETATM   38  H   UNL     1       0.613   1.445   0.702  1.00  0.00           H  
HETATM   39  H   UNL     1       1.115   1.664  -0.996  1.00  0.00           H  
HETATM   40  H   UNL     1       1.146  -0.830   0.697  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.788   0.975  -3.136  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.521   0.897  -3.534  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.939   2.059  -2.318  1.00  0.00           H  
HETATM   44  HXT UNL     1      -1.144  -4.088   2.056  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.054  -0.597  -1.608  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.932   1.786  -0.854  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.186   2.687   2.243  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.874  -0.160   1.299  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.264   0.935  -1.002  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.447   1.664   1.887  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.758   2.193   2.072  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.700   2.706   0.652  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    5    4                                            
CONECT    4    3   28   29   30                                       
CONECT    5    3   31   32   33                                       
CONECT    6    7    8    2   34                                       
CONECT    7    6   10   35   36                                       
CONECT    8    6    9   37                                            
CONECT    9   10    8   38   39                                       
CONECT   10    7    9   11   40                                       
CONECT   11   10   12                                                 
CONECT   12   13   13   11   15                                       
CONECT   13   14   20   12   12                                       
CONECT   14   13   41   42   43                                       
CONECT   15   19   19   12   16                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   44                                                 
CONECT   18   16   16                                                 
CONECT   19   20   15   15                                            
CONECT   20   13   21   19   45                                       
CONECT   21   25   20   22   46                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   47                                                 
CONECT   25   27   26   21   48                                       
CONECT   26   25   49                                                 
CONECT   27   25   50   51   52                                       
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   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
