COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1      -4.667  -4.502  -1.635  1.00  0.00           N1+
HETATM    2  C   UNK A   1      -3.894  -4.628  -0.393  1.00  0.00           C  
HETATM    3  C   UNK A   1      -4.606  -5.566   0.549  1.00  0.00           C  
HETATM    4  O   UNK A   1      -5.783  -5.792   0.401  1.00  0.00           O  
HETATM    5  C   UNK A   1      -3.756  -3.253   0.264  1.00  0.00           C  
HETATM    6  C   UNK A   1      -2.926  -2.338  -0.638  1.00  0.00           C  
HETATM    7  C   UNK A   1      -2.790  -0.984   0.009  1.00  0.00           C  
HETATM    8  O   UNK A   1      -3.306  -0.772   1.086  1.00  0.00           O  
HETATM    9  O   UNK A   1      -3.931  -6.150   1.552  1.00  0.00           O  
HETATM   10  C   UNK A   1      -1.963   1.308   0.020  1.00  0.00           C  
HETATM   11  C   UNK A   1      -3.166   2.150  -0.319  1.00  0.00           C  
HETATM   12  O   UNK A   1      -4.047   1.695  -1.017  1.00  0.00           O  
HETATM   13  N   UNK A   1      -2.095  -0.009  -0.609  1.00  0.00           N  
HETATM   14  C   UNK A   1      -0.697   1.995  -0.496  1.00  0.00           C  
HETATM   15  S   UNK A   1       0.751   0.982  -0.088  1.00  0.00           S  
HETATM   16 BR   UNK A   1       7.440  -0.993   0.296  1.00  0.00          Br  
HETATM   17  C   UNK A   1       3.425   1.224  -0.507  1.00  0.00           C  
HETATM   18  C   UNK A   1       3.908   0.314  -1.429  1.00  0.00           C  
HETATM   19  C   UNK A   1       5.100  -0.344  -1.191  1.00  0.00           C  
HETATM   20  C   UNK A   1       5.810  -0.093  -0.030  1.00  0.00           C  
HETATM   21  C   UNK A   1       5.325   0.818   0.892  1.00  0.00           C  
HETATM   22  C   UNK A   1       4.133   1.476   0.653  1.00  0.00           C  
HETATM   23  C   UNK A   1       2.128   1.946  -0.770  1.00  0.00           C  
ATOM     24  N   GLY A   2      -3.263   3.408   0.154  1.00  0.00           N  
ATOM     25  CA  GLY A   2      -4.432   4.226  -0.176  1.00  0.00           C  
ATOM     26  C   GLY A   2      -4.296   5.581   0.471  1.00  0.00           C  
ATOM     27  O   GLY A   2      -3.322   5.836   1.139  1.00  0.00           O  
ATOM     28  OXT GLY A   2      -5.257   6.503   0.305  1.00  0.00           O  
HETATM   29  H   UNK A   1      -4.191  -3.874  -2.266  1.00  0.00           H  
HETATM   30  H   UNK A   1      -4.758  -5.409  -2.068  1.00  0.00           H  
HETATM   31  H   UNK A   1      -2.904  -5.024  -0.619  1.00  0.00           H  
HETATM   32  H   UNK A   1      -4.745  -2.819   0.410  1.00  0.00           H  
HETATM   33  H   UNK A   1      -3.260  -3.360   1.229  1.00  0.00           H  
HETATM   34  H   UNK A   1      -1.937  -2.772  -0.784  1.00  0.00           H  
HETATM   35  H   UNK A   1      -3.422  -2.232  -1.603  1.00  0.00           H  
HETATM   36  H   UNK A   1      -4.430  -6.743   2.129  1.00  0.00           H  
HETATM   37  H   UNK A   1      -5.584  -4.136  -1.425  1.00  0.00           H  
HETATM   38  H   UNK A   1      -1.896   1.189   1.102  1.00  0.00           H  
HETATM   39  H   UNK A   1      -1.682  -0.178  -1.470  1.00  0.00           H  
HETATM   40  H   UNK A   1      -0.764   2.114  -1.578  1.00  0.00           H  
HETATM   41  H   UNK A   1      -0.599   2.975  -0.028  1.00  0.00           H  
HETATM   42  H   UNK A   1       3.355   0.117  -2.335  1.00  0.00           H  
HETATM   43  H   UNK A   1       5.478  -1.055  -1.911  1.00  0.00           H  
HETATM   44  H   UNK A   1       5.879   1.015   1.798  1.00  0.00           H  
HETATM   45  H   UNK A   1       3.755   2.187   1.373  1.00  0.00           H  
HETATM   46  H   UNK A   1       1.991   2.066  -1.844  1.00  0.00           H  
HETATM   47  H   UNK A   1       2.156   2.926  -0.295  1.00  0.00           H  
ATOM     48  H   GLY A   2      -2.558   3.772   0.712  1.00  0.00           H  
ATOM     49  HA1 GLY A   2      -4.499   4.345  -1.258  1.00  0.00           H  
ATOM     50  HA2 GLY A   2      -5.334   3.737   0.192  1.00  0.00           H  
ATOM     51  HXT GLY A   2      -5.126   7.357   0.739  1.00  0.00           H  
CONECT    1    2   29   30   37                                       
CONECT    2    1    3    5   31                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   32   33                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8    8   13                                       
CONECT    8    7    7                                                 
CONECT    9    3   36                                                 
CONECT   10   11   13   14   38                                       
CONECT   11   10   12   12   24                                       
CONECT   12   11   11                                                 
CONECT   13   10   39    7                                            
CONECT   14   10   15   40   41                                       
CONECT   15   14   23                                                 
CONECT   16   20                                                      
CONECT   17   18   18   22   23                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   16   19   19   21                                       
CONECT   21   20   22   22   44                                       
CONECT   22   17   21   21   45                                       
CONECT   23   15   17   46   47                                       
CONECT   24   25   48   11                                            
CONECT   25   24   26   49   50                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   51                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37    1                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
