COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.000   0.095  -0.053  1.00  0.00           C  
HETATM    2  CA  UNL     1       8.772  -0.756  -0.248  1.00  0.00           C  
HETATM    3  C   UNL     1       7.526   0.132  -0.224  1.00  0.00           C  
HETATM    4  N   UNL     1       6.327  -0.707  -0.293  1.00  0.00           N  
HETATM    5  C   UNL     1       5.105  -0.138  -0.286  1.00  0.00           C  
HETATM    6  C   UNL     1       3.872  -1.001  -0.358  1.00  0.00           C  
HETATM    7  C   UNL     1       2.626  -0.113  -0.333  1.00  0.00           C  
HETATM    8  C   UNL     1       1.374  -0.991  -0.280  1.00  0.00           C  
HETATM    9  C   UNL     1       0.147  -0.116  -0.256  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.078  -0.675  -0.209  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.271   0.175  -0.185  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.522  -0.703  -0.132  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.715   0.147  -0.109  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.940  -0.412  -0.062  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.167   0.463  -0.038  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.419  -0.416   0.015  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.646   0.459   0.039  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.001  -0.159   0.091  1.00  0.00           C  
HETATM   19  OXT UNL     1      10.507   0.787  -1.085  1.00  0.00           O  
HETATM   20  O   UNL     1      10.524   0.159   1.033  1.00  0.00           O  
HETATM   21  N   UNL     1       8.687  -1.748   0.832  1.00  0.00           N  
HETATM   22  O   UNL     1       4.999   1.068  -0.222  1.00  0.00           O  
HETATM   23  C   UNL     1       2.667   0.777   0.882  1.00  0.00           C  
HETATM   24  O   UNL     1       2.668   1.978   0.752  1.00  0.00           O  
HETATM   25  O   UNL     1       2.703   0.235   2.110  1.00  0.00           O  
HETATM   26  O   UNL     1       2.593   0.693  -1.513  1.00  0.00           O  
HETATM   27  O   UNL     1       0.263   1.091  -0.279  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.056  -1.619  -0.039  1.00  0.00           O  
HETATM   29  O   UNL     1      -9.531   1.661   0.016  1.00  0.00           O  
HETATM   30  O   UNL     1     -11.116  -1.366   0.115  1.00  0.00           O  
HETATM   31  O   UNL     1     -12.097   0.622   0.113  1.00  0.00           O  
HETATM   32  HA  UNL     1       8.834  -1.269  -1.208  1.00  0.00           H  
HETATM   33  H   UNL     1       7.511   0.711   0.699  1.00  0.00           H  
HETATM   34  H   UNL     1       7.546   0.809  -1.078  1.00  0.00           H  
HETATM   35  H   UNL     1       6.412  -1.672  -0.345  1.00  0.00           H  
HETATM   36  H   UNL     1       3.887  -1.580  -1.281  1.00  0.00           H  
HETATM   37  H   UNL     1       3.852  -1.678   0.496  1.00  0.00           H  
HETATM   38  H   UNL     1       1.345  -1.635  -1.159  1.00  0.00           H  
HETATM   39  H   UNL     1       1.400  -1.606   0.619  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.170  -1.641  -0.191  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.241   0.818   0.694  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.296   0.790  -1.085  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.552  -1.347  -1.012  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.497  -1.318   0.767  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.623   1.112  -0.127  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.137   1.106   0.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.193   1.077  -0.937  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.449  -1.059  -0.864  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.393  -1.031   0.915  1.00  0.00           H  
HETATM   50  HXT UNL     1      11.293   1.322  -0.911  1.00  0.00           H  
HETATM   51  H1  UNL     1       9.467  -2.388   0.798  1.00  0.00           H  
HETATM   52  H2  UNL     1       8.629  -1.298   1.733  1.00  0.00           H  
HETATM   53  H   UNL     1       2.729   0.846   2.859  1.00  0.00           H  
HETATM   54  H   UNL     1       2.565   0.186  -2.335  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.954   0.175   0.147  1.00  0.00           H  
CONECT    1    2   20   20   19                                       
CONECT    2    1    3   21   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3    5   35                                            
CONECT    5    4   22   22    6                                       
CONECT    6    5    7   36   37                                       
CONECT    7    6    8   23   26                                       
CONECT    8    7    9   38   39                                       
CONECT    9    8   27   27   10                                       
CONECT   10    9   11   40                                            
CONECT   11   10   12   41   42                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   14   45                                            
CONECT   14   13   28   28   15                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   29   29   18                                       
CONECT   18   17   30   30   31                                       
CONECT   19    1   50                                                 
CONECT   20    1    1                                                 
CONECT   21    2   51   52                                            
CONECT   22    5    5                                                 
CONECT   23    7   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   53                                                 
CONECT   26    7   54                                                 
CONECT   27    9    9                                                 
CONECT   28   14   14                                                 
CONECT   29   17   17                                                 
CONECT   30   18   18                                                 
CONECT   31   18   55                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
