COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.156  -0.793   0.233  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.726  -1.781  -0.392  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.539  -3.118   0.278  1.00  0.00           C  
HETATM    4  O   UNL     1       0.251  -3.233   1.185  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.182  -1.334  -0.240  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.728   3.122  1.00  0.00           C  
HETATM    7  C   UNL     1       4.552   1.414   0.469  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.490   1.597   0.335  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.254  -0.381   1.409  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.821   1.748  -1.727  1.00  0.00           C  
HETATM   11  C   UNL     1       1.433  -0.671  -0.183  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.348   0.615   0.289  1.00  0.00           C  
HETATM   13  C   UNL     1       2.325   0.328   0.450  1.00  0.00           C  
HETATM   14  CA  UNL     1      -3.522   0.704  -0.729  1.00  0.00           C  
HETATM   15  C   UNL     1       5.499  -0.137  -1.238  1.00  0.00           C  
HETATM   16  C   UNL     1       3.726   0.462  -0.006  1.00  0.00           C  
HETATM   17  N   UNL     1       6.224  -0.873  -2.161  1.00  0.00           N  
HETATM   18  N   UNL     1       1.876   1.089   1.408  1.00  0.00           N  
HETATM   19  N   UNL     1       4.261  -0.351  -0.917  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.398  -0.076  -0.970  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.730   0.886   0.310  1.00  0.00           O  
HETATM   22  OXT UNL     1      -4.697   1.500  -2.720  1.00  0.00           O  
HETATM   23  O   UNL     1       1.851  -1.381  -1.076  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.278   2.833  -1.652  1.00  0.00           O  
HETATM   25  O   UNL     1       2.760   1.953   2.098  1.00  0.00           O  
HETATM   26  S   UNL     1      -2.551  -1.010   1.515  1.00  0.00           S  
HETATM   27  S   UNL     1       6.116   1.234  -0.322  1.00  0.00           S  
HETATM   28  H   UNL     1      -0.179  -0.224   0.943  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.482  -1.868  -1.451  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.849  -2.106  -0.623  1.00  0.00           H  
HETATM   31  H   UNL     1       1.690   2.062   3.863  1.00  0.00           H  
HETATM   32  H   UNL     1       2.877   3.364   3.604  1.00  0.00           H  
HETATM   33  H   UNL     1       1.354   3.350   2.681  1.00  0.00           H  
HETATM   34  H   UNL     1       4.298   2.163   1.205  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.427   2.185   1.250  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.435   2.260  -0.528  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.521   0.103   2.348  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.937  -1.208   1.218  1.00  0.00           H  
HETATM   39  H   UNL     1       5.806  -1.616  -2.624  1.00  0.00           H  
HETATM   40  H   UNL     1       7.149  -0.645  -2.343  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.747   0.213  -1.628  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.509   1.456   0.261  1.00  0.00           H  
HETATM   43  HXT UNL     1      -4.861   2.215  -3.350  1.00  0.00           H  
HETATM   44  OXT UNL     1      -1.249  -4.180  -0.132  1.00  0.00           O  
HETATM   45  HXT UNL     1      -1.094  -5.016   0.328  1.00  0.00           H  
CONECT    1   11    2   28                                            
CONECT    2    5    1    3   29                                       
CONECT    3    2    4    4   44                                       
CONECT    4    3    3                                                 
CONECT    5   26   20    2   30                                       
CONECT    6   25   31   32   33                                       
CONECT    7   16   16   27   34                                       
CONECT    8   12   21   35   36                                       
CONECT    9   12   26   37   38                                       
CONECT   10   14   24   24   22                                       
CONECT   11   23   23    1   13                                       
CONECT   12    9    8   14   14                                       
CONECT   13   11   18   18   16                                       
CONECT   14   12   12   20   10                                       
CONECT   15   27   19   19   17                                       
CONECT   16   13    7    7   19                                       
CONECT   17   15   39   40                                            
CONECT   18   13   13   25                                            
CONECT   19   16   15   15                                            
CONECT   20    5   14   41                                            
CONECT   21    8   42                                                 
CONECT   22   10   43                                                 
CONECT   23   11   11                                                 
CONECT   24   10   10                                                 
CONECT   25   18    6                                                 
CONECT   26    9    5                                                 
CONECT   27    7   15                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44    3   45                                                 
CONECT   45   44                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
