COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -6.815  -0.436   0.939  1.00  0.00           N  
HETATM    2  CA  UNL     1      -6.177   0.858   0.661  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.164   1.767  -0.026  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.035   1.295  -0.737  1.00  0.00           O  
HETATM    5  OXT UNL     1      -7.091   2.974   0.130  1.00  0.00           O1-
HETATM    6  C   UNL     1      -4.964   0.644  -0.246  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.908  -0.176   0.499  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.469  -0.429  -0.576  1.00  0.00           S1+
HETATM    9  C   UNL     1      -3.103  -1.751  -1.644  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.413  -1.400   0.534  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.103  -1.741  -0.177  1.00  0.00           C  
HETATM   12  O   UNL     1       0.656  -0.542  -0.407  1.00  0.00           O  
HETATM   13  C   UNL     1       0.752  -2.664   0.713  1.00  0.00           C  
HETATM   14  O   UNL     1       1.004  -3.909   0.058  1.00  0.00           O  
HETATM   15  C   UNL     1       2.075  -1.877   0.910  1.00  0.00           C  
HETATM   16  O   UNL     1       3.203  -2.751   0.832  1.00  0.00           O  
HETATM   17  C   UNL     1       2.050  -0.896  -0.290  1.00  0.00           C  
HETATM   18  N   UNL     1       2.862   0.290  -0.006  1.00  0.00           N  
HETATM   19  C   UNL     1       2.426   1.448   0.567  1.00  0.00           C  
HETATM   20  N   UNL     1       3.411   2.292   0.670  1.00  0.00           N  
HETATM   21  C   UNL     1       4.539   1.731   0.172  1.00  0.00           C  
HETATM   22  C   UNL     1       5.870   2.155   0.022  1.00  0.00           C  
HETATM   23  N   UNL     1       6.263   3.415   0.438  1.00  0.00           N  
HETATM   24  N   UNL     1       6.744   1.317  -0.527  1.00  0.00           N  
HETATM   25  C   UNL     1       6.378   0.112  -0.925  1.00  0.00           C  
HETATM   26  N   UNL     1       5.143  -0.327  -0.805  1.00  0.00           N  
HETATM   27  C   UNL     1       4.201   0.438  -0.263  1.00  0.00           C  
HETATM   28  H1  UNL     1      -7.662  -0.238   1.449  1.00  0.00           H  
HETATM   29  H2  UNL     1      -7.095  -0.819   0.048  1.00  0.00           H  
HETATM   30  HA  UNL     1      -5.855   1.313   1.598  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.543   1.610  -0.524  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.271   0.109  -1.145  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.328  -1.142   0.778  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.600   0.359   1.398  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.339  -2.030  -2.370  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.359  -2.619  -1.035  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.992  -1.400  -2.169  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.199  -0.819   1.432  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.927  -2.320   0.811  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.314  -2.234  -1.127  1.00  0.00           H  
HETATM   41  H   UNL     1       0.261  -2.831   1.672  1.00  0.00           H  
HETATM   42  H   UNL     1       1.590  -4.416   0.637  1.00  0.00           H  
HETATM   43  H   UNL     1       2.069  -1.336   1.856  1.00  0.00           H  
HETATM   44  H   UNL     1       3.160  -3.333   1.603  1.00  0.00           H  
HETATM   45  H   UNL     1       2.399  -1.390  -1.197  1.00  0.00           H  
HETATM   46  H   UNL     1       1.412   1.637   0.887  1.00  0.00           H  
HETATM   47  H   UNL     1       5.616   4.017   0.837  1.00  0.00           H  
HETATM   48  H   UNL     1       7.185   3.696   0.329  1.00  0.00           H  
HETATM   49  H   UNL     1       7.120  -0.537  -1.367  1.00  0.00           H  
CONECT    1    2   28   29                                            
CONECT    2    1    3    6   30                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3                                                      
CONECT    6    2    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   10                                            
CONECT    9    8   35   36   37                                       
CONECT   10    8   11   38   39                                       
CONECT   11   10   12   13   40                                       
CONECT   12   11   17                                                 
CONECT   13   11   14   15   41                                       
CONECT   14   13   42                                                 
CONECT   15   13   16   17   43                                       
CONECT   16   15   44                                                 
CONECT   17   12   15   18   45                                       
CONECT   18   17   19   27                                            
CONECT   19   18   20   20   46                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   27   27                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   47   48                                            
CONECT   24   22   22   25                                            
CONECT   25   24   26   26   49                                       
CONECT   26   25   25   27                                            
CONECT   27   18   21   21   26                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
