COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.322  -0.783   2.162  1.00  0.00           C  
HETATM    2  C   UNL     1       4.492  -1.200  -0.356  1.00  0.00           C  
HETATM    3  C   UNL     1       5.713  -1.731   0.094  1.00  0.00           C  
HETATM    4  C   UNL     1       2.708  -0.559  -1.408  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.489  -0.256   2.485  1.00  0.00           N1+
HETATM    6  CA  UNL     1      -5.223  -0.437   1.226  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.058  -1.689   1.307  1.00  0.00           C  
HETATM    8  OXT UNL     1      -6.883  -1.928   0.441  1.00  0.00           O1-
HETATM    9  C   UNL     1      -4.229  -0.562   0.069  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.467   0.755  -0.092  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.212   0.478  -2.484  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.600   1.787  -1.238  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.553   1.644  -0.132  1.00  0.00           C  
HETATM   14  O   UNL     1       0.291   0.499  -0.384  1.00  0.00           O  
HETATM   15  C   UNL     1       0.408   2.853  -0.141  1.00  0.00           C  
HETATM   16  O   UNL     1       0.020   3.809   0.848  1.00  0.00           O  
HETATM   17  C   UNL     1       1.784   2.242   0.206  1.00  0.00           C  
HETATM   18  O   UNL     1       2.289   2.803   1.419  1.00  0.00           O  
HETATM   19  C   UNL     1       1.491   0.735   0.384  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.909  -2.462   2.237  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.236  -0.049  -3.537  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.512   0.636  -1.202  1.00  0.00           N  
HETATM   23  N   UNL     1       6.083  -1.492   1.348  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.816  -1.367  -3.180  1.00  0.00           O  
HETATM   25  N   UNL     1       4.168  -0.275   1.787  1.00  0.00           N  
HETATM   26  C   UNL     1       3.718  -0.456   0.549  1.00  0.00           C  
HETATM   27  N   UNL     1       6.513  -2.482  -0.749  1.00  0.00           N  
HETATM   28  N   UNL     1       3.814  -1.233  -1.529  1.00  0.00           N  
HETATM   29  N   UNL     1       2.599  -0.065  -0.142  1.00  0.00           N  
HETATM   30  H   UNL     1       5.659  -0.617   3.175  1.00  0.00           H  
HETATM   31  H   UNL     1       1.979  -0.418  -2.192  1.00  0.00           H  
HETATM   32  H1  UNL     1      -3.929   0.582   2.431  1.00  0.00           H  
HETATM   33  H2  UNL     1      -5.144  -0.174   3.248  1.00  0.00           H  
HETATM   34  HA  UNL     1      -5.871   0.422   1.056  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.524  -1.366   0.281  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.768  -0.784  -0.851  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.172   1.559  -0.304  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.927   0.978   0.829  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.606   1.443  -2.804  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.034  -0.228  -2.364  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.168   2.705  -1.085  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.102   1.825  -2.207  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.039   1.553   0.840  1.00  0.00           H  
HETATM   44  H   UNL     1       0.431   3.315  -1.128  1.00  0.00           H  
HETATM   45  H   UNL     1       0.590   4.589   0.886  1.00  0.00           H  
HETATM   46  H   UNL     1       2.489   2.400  -0.610  1.00  0.00           H  
HETATM   47  H   UNL     1       2.434   3.759   1.380  1.00  0.00           H  
HETATM   48  H   UNL     1       1.320   0.504   1.436  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.729  -0.075  -4.509  1.00  0.00           H  
HETATM   50  H   UNL     1       6.233  -2.648  -1.663  1.00  0.00           H  
HETATM   51  H   UNL     1       7.353  -2.843  -0.426  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.367   0.608  -3.588  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.194  -1.765  -3.805  1.00  0.00           H  
HETATM   54  H3  UNL     1      -3.888  -1.052   2.642  1.00  0.00           H  
CONECT    1   23   25   25   30                                       
CONECT    2    3   28   26   26                                       
CONECT    3   27   23   23    2                                       
CONECT    4   28   28   29   31                                       
CONECT    5    6   32   33   54                                       
CONECT    6    7    5    9   34                                       
CONECT    7   20   20    8    6                                       
CONECT    8    7                                                      
CONECT    9    6   10   35   36                                       
CONECT   10    9   22   37   38                                       
CONECT   11   22   21   39   40                                       
CONECT   12   13   22   41   42                                       
CONECT   13   14   12   15   43                                       
CONECT   14   19   13                                                 
CONECT   15   17   13   16   44                                       
CONECT   16   15   45                                                 
CONECT   17   19   18   15   46                                       
CONECT   18   17   47                                                 
CONECT   19   29   14   17   48                                       
CONECT   20    7    7                                                 
CONECT   21   24   11   49   52                                       
CONECT   22   10   12   11                                            
CONECT   23    3    3    1                                            
CONECT   24   21   53                                                 
CONECT   25    1    1   26                                            
CONECT   26    2    2   25   29                                       
CONECT   27    3   50   51                                            
CONECT   28    2    4    4                                            
CONECT   29   26    4   19                                            
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54    5                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
