COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.717  -0.720   1.373  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.210   0.104   2.098  1.00  0.00           O  
HETATM    3  CA  UNL     1      -0.313  -0.796  -0.077  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.346  -0.060  -0.933  1.00  0.00           C  
HETATM    5  N   UNL     1       1.004  -0.171  -0.253  1.00  0.00           N  
HETATM    6  C   UNL     1       2.083  -1.126   0.033  1.00  0.00           C  
HETATM    7  O   UNL     1       2.189  -1.317   1.445  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.680  -0.752  -0.817  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.846  -0.011  -0.834  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.070  -0.645  -0.728  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.127  -2.021  -0.605  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.960  -2.762  -0.589  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.737  -2.128  -0.700  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.474   1.362  -0.453  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.002   2.401  -1.234  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.120   3.706  -0.793  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.711   3.972   0.428  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.183   2.934   1.209  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.069   1.629   0.766  1.00  0.00           C  
HETATM   20  N   UNL     1       3.352  -0.601  -0.487  1.00  0.00           N  
HETATM   21  C   UNL     1       4.434  -1.583  -0.326  1.00  0.00           C  
HETATM   22  C   UNL     1       5.722  -1.020  -0.933  1.00  0.00           C  
HETATM   23  O   UNL     1       6.029   0.231  -0.312  1.00  0.00           O  
HETATM   24  C   UNL     1       4.997   1.212  -0.450  1.00  0.00           C  
HETATM   25  C   UNL     1       3.702   0.671   0.162  1.00  0.00           C  
HETATM   26  HA  UNL     1      -0.264  -1.840  -0.386  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.024  -0.064  -1.975  1.00  0.00           H  
HETATM   28  H   UNL     1       1.100   0.217  -1.179  1.00  0.00           H  
HETATM   29  H   UNL     1       1.860  -2.079  -0.447  1.00  0.00           H  
HETATM   30  H   UNL     1       2.386  -0.508   1.937  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.802   1.064  -0.930  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.981  -0.066  -0.741  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.082  -2.517  -0.522  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.004  -3.837  -0.493  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.825  -2.707  -0.691  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.541   2.193  -2.188  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.751   4.517  -1.402  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.802   4.992   0.773  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.644   3.142   2.163  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.442   0.818   1.374  1.00  0.00           H  
HETATM   41  H   UNL     1       4.589  -1.783   0.735  1.00  0.00           H  
HETATM   42  H   UNL     1       4.166  -2.508  -0.836  1.00  0.00           H  
HETATM   43  H   UNL     1       6.540  -1.720  -0.765  1.00  0.00           H  
HETATM   44  H   UNL     1       5.584  -0.870  -2.004  1.00  0.00           H  
HETATM   45  H   UNL     1       5.290   2.125   0.067  1.00  0.00           H  
HETATM   46  H   UNL     1       4.838   1.426  -1.507  1.00  0.00           H  
HETATM   47  H   UNL     1       2.898   1.391   0.008  1.00  0.00           H  
HETATM   48  H   UNL     1       3.845   0.507   1.230  1.00  0.00           H  
HETATM   49  OXT UNL     1      -1.635  -1.569   1.860  1.00  0.00           O  
HETATM   50  HXT UNL     1      -1.858  -1.484   2.797  1.00  0.00           H  
CONECT    1    2    2    3   49                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5   26                                       
CONECT    4    3    8   14   27                                       
CONECT    5    3    6   28                                            
CONECT    6    5    7   20   29                                       
CONECT    7    6   30                                                 
CONECT    8    4    9    9   13                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9   11   11   32                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13    8   12   12   35                                       
CONECT   14    4   15   15   19                                       
CONECT   15   14   14   16   36                                       
CONECT   16   15   17   17   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   14   18   18   40                                       
CONECT   20    6   21   25                                            
CONECT   21   20   22   41   42                                       
CONECT   22   21   23   43   44                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   45   46                                       
CONECT   25   20   24   47   48                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49    1   50                                                 
CONECT   50   49                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
