COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -1.210  -1.057   1.024  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.523  -0.336  -1.217  1.00  0.00           C  
HETATM    3  CA  UNL     1      -4.864  -0.560   0.268  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.456  -0.317   0.534  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.026  -0.521   0.348  1.00  0.00           N  
HETATM    6  C   UNL     1       1.185  -0.622   0.930  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.698  -0.942   1.069  1.00  0.00           N  
HETATM    8  O   UNL     1      -6.732   1.019   0.607  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.444   0.712   0.831  1.00  0.00           C  
HETATM   10  OXT UNL     1      -4.751   1.456   1.483  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.221  -1.377  -2.094  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.911   1.079  -1.652  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.700  -0.552  -1.276  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.344  -2.526   0.714  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.534  -3.069   0.002  1.00  0.00           O  
HETATM   16  O   UNL     1       1.296  -1.157   2.013  1.00  0.00           O  
HETATM   17  C   UNL     1       2.403  -0.071   0.234  1.00  0.00           C  
HETATM   18  N   UNL     1       3.591  -0.304   1.067  1.00  0.00           N  
HETATM   19  N   UNL     1       4.708  -0.453   0.296  1.00  0.00           N  
HETATM   20  C   UNL     1       5.764   0.555   0.122  1.00  0.00           C  
HETATM   21  C   UNL     1       6.767  -0.122  -0.832  1.00  0.00           C  
HETATM   22  N   UNL     1       6.170  -1.439  -1.095  1.00  0.00           N  
HETATM   23  C   UNL     1       5.019  -1.543  -0.417  1.00  0.00           C  
HETATM   24  O   UNL     1       4.315  -2.534  -0.454  1.00  0.00           O  
HETATM   25  C   UNL     1       2.228   1.410   0.013  1.00  0.00           C  
HETATM   26  C   UNL     1       2.466   2.296   1.046  1.00  0.00           C  
HETATM   27  C   UNL     1       2.305   3.654   0.843  1.00  0.00           C  
HETATM   28  C   UNL     1       1.907   4.126  -0.394  1.00  0.00           C  
HETATM   29  C   UNL     1       1.670   3.239  -1.428  1.00  0.00           C  
HETATM   30  C   UNL     1       1.835   1.882  -1.226  1.00  0.00           C  
HETATM   31  HA  UNL     1      -1.107  -0.921   2.101  1.00  0.00           H  
HETATM   32  HA  UNL     1      -5.613  -1.349   0.341  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.407   0.742   0.790  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.114  -0.093  -0.518  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.833  -0.705   2.040  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.059   1.845   0.988  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.936  -1.225  -3.135  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.922  -2.377  -1.778  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.301  -1.272  -1.994  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.366   1.806  -1.051  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.662   1.217  -2.704  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.983   1.221  -1.511  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.164  -3.093   1.129  1.00  0.00           H  
HETATM   44  H   UNL     1       2.530  -0.569  -0.727  1.00  0.00           H  
HETATM   45  H   UNL     1       3.712   0.438   1.740  1.00  0.00           H  
HETATM   46  H   UNL     1       5.358   1.461  -0.329  1.00  0.00           H  
HETATM   47  H   UNL     1       6.236   0.783   1.078  1.00  0.00           H  
HETATM   48  H   UNL     1       6.859   0.448  -1.757  1.00  0.00           H  
HETATM   49  H   UNL     1       7.739  -0.231  -0.351  1.00  0.00           H  
HETATM   50  H   UNL     1       6.550  -2.126  -1.665  1.00  0.00           H  
HETATM   51  H   UNL     1       2.777   1.928   2.013  1.00  0.00           H  
HETATM   52  H   UNL     1       2.491   4.347   1.651  1.00  0.00           H  
HETATM   53  H   UNL     1       1.781   5.186  -0.552  1.00  0.00           H  
HETATM   54  H   UNL     1       1.359   3.607  -2.394  1.00  0.00           H  
HETATM   55  H   UNL     1       1.653   1.189  -2.035  1.00  0.00           H  
CONECT    1   14    5    4   31                                       
CONECT    2    3   13   11   12                                       
CONECT    3    2    7    9   32                                       
CONECT    4    1    7   13   33                                       
CONECT    5    1    6   34                                            
CONECT    6    5   17   16   16                                       
CONECT    7    3    4   35                                            
CONECT    8    9   36                                                 
CONECT    9    3    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    2   37   38   39                                       
CONECT   12    2   40   41   42                                       
CONECT   13    2    4                                                 
CONECT   14    1   15   15   43                                       
CONECT   15   14   14                                                 
CONECT   16    6    6                                                 
CONECT   17    6   18   25   44                                       
CONECT   18   17   19   45                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21   46   47                                       
CONECT   21   20   22   48   49                                       
CONECT   22   21   23   50                                            
CONECT   23   19   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   17   26   26   30                                       
CONECT   26   25   25   27   51                                       
CONECT   27   26   28   28   52                                       
CONECT   28   27   27   29   53                                       
CONECT   29   28   30   30   54                                       
CONECT   30   25   29   29   55                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
