COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.021   0.502  -0.310  1.00  0.00           C  
HETATM    2  C   UNL     1       4.095  -1.331   0.945  1.00  0.00           C  
HETATM    3  C   UNL     1       2.000  -1.891  -1.721  1.00  0.00           C  
HETATM    4  N   UNL     1       0.526   0.126  -1.321  1.00  0.00           N  
HETATM    5  C   UNL     1       0.581   1.317  -0.637  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.973  -0.377   0.200  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.757  -1.864   0.482  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.253  -1.923   0.843  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.697   0.527   1.295  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.882   1.501   0.863  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.487   2.401   1.577  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.294   3.702  -1.183  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.668   2.306  -1.165  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.323   2.367  -0.489  1.00  0.00           C  
HETATM   15  C   UNL     1       0.016   3.460   0.277  1.00  0.00           C  
HETATM   16  C   UNL     1       1.252   3.529   0.906  1.00  0.00           C  
HETATM   17  C   UNL     1       2.154   2.512   0.775  1.00  0.00           C  
HETATM   18  C   UNL     1       1.832   1.393   0.003  1.00  0.00           C  
HETATM   19  C   UNL     1       2.549   0.158  -0.337  1.00  0.00           C  
HETATM   20  C   UNL     1       3.907  -0.228   0.105  1.00  0.00           C  
HETATM   21  C   UNL     1       6.445  -0.878   0.863  1.00  0.00           C  
HETATM   22  C   UNL     1       5.390  -1.650   1.330  1.00  0.00           C  
HETATM   23  CA  UNL     1       1.699  -0.579  -1.143  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.194   0.191  -0.991  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.958  -3.179   0.328  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.445  -0.693  -0.062  1.00  0.00           C  
HETATM   27  N   UNL     1       6.232   0.159   0.076  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.543   1.389  -0.431  1.00  0.00           N  
HETATM   29  N   UNL     1      -7.341  -3.202   0.822  1.00  0.00           N  
HETATM   30  O   UNL     1       5.623  -2.716   2.141  1.00  0.00           O  
HETATM   31  OXT UNL     1       1.085  -2.513  -2.494  1.00  0.00           O  
HETATM   32  O   UNL     1       3.073  -2.420  -1.504  1.00  0.00           O  
HETATM   33  H   UNL     1       4.890   1.356  -0.959  1.00  0.00           H  
HETATM   34  H   UNL     1       3.254  -1.918   1.285  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.229  -0.177  -1.849  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.498  -2.444  -0.404  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.094  -2.058   1.324  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.455  -1.727   1.896  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.643   4.385  -1.730  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.267   3.658  -1.672  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.417   4.058  -0.160  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.545   1.950  -2.188  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.687   4.272   0.389  1.00  0.00           H  
HETATM   44  H   UNL     1       1.502   4.394   1.503  1.00  0.00           H  
HETATM   45  H   UNL     1       3.114   2.573   1.266  1.00  0.00           H  
HETATM   46  H   UNL     1       7.455  -1.125   1.156  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.449  -0.524  -1.340  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.872   0.463  -1.800  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.962  -3.172  -0.762  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.430  -4.064   0.683  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.131   0.049   0.347  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.660  -0.944  -1.101  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.833  -2.361   0.560  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.828  -4.023   0.495  1.00  0.00           H  
HETATM   55  H   UNL     1       5.621  -2.500   3.084  1.00  0.00           H  
HETATM   56  HXT UNL     1       1.374  -3.373  -2.830  1.00  0.00           H  
CONECT    1   27   20   20   33                                       
CONECT    2   22   22   20   34                                       
CONECT    3   32   32   23   31                                       
CONECT    4   23    5   35                                            
CONECT    5   18    4   14   14                                       
CONECT    6    9   26   24    7                                       
CONECT    7    6    8   36   37                                       
CONECT    8   26    7   25   38                                       
CONECT    9   10    6                                                 
CONECT   10   11   11    9   28                                       
CONECT   11   10   10                                                 
CONECT   12   13   39   40   41                                       
CONECT   13   14   28   12   42                                       
CONECT   14    5    5   15   13                                       
CONECT   15   16   16   14   43                                       
CONECT   16   17   15   15   44                                       
CONECT   17   18   18   16   45                                       
CONECT   18   19   17   17    5                                       
CONECT   19   20   23   23   18                                       
CONECT   20    1    1    2   19                                       
CONECT   21   27   27   22   46                                       
CONECT   22   21   30    2    2                                       
CONECT   23    3   19   19    4                                       
CONECT   24   28    6   47   48                                       
CONECT   25    8   29   49   50                                       
CONECT   26    6    8   51   52                                       
CONECT   27   21   21    1                                            
CONECT   28   10   13   24                                            
CONECT   29   25   53   54                                            
CONECT   30   22   55                                                 
CONECT   31    3   56                                                 
CONECT   32    3    3                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
