COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.221  -0.868  -0.026  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.995  -1.657  -1.153  1.00  0.00           C  
HETATM    3  C   UNL     1       4.427   0.100   0.335  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.442   0.201  -0.326  1.00  0.00           C  
HETATM    5  C   UNL     1       4.410   0.574   1.789  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.331   1.048   0.586  1.00  0.00           C  
HETATM    7  CA  UNL     1      -3.711   1.212  -0.055  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.546   2.145   0.782  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.317  -0.314  -1.069  1.00  0.00           C  
HETATM   10  C   UNL     1       5.337   0.989  -0.473  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.418  -4.311   0.322  1.00  0.00           C  
HETATM   12  N   UNL     1       0.280  -2.165  -0.692  1.00  0.00           N  
HETATM   13  N   UNL     1       3.071   0.160  -0.215  1.00  0.00           N  
HETATM   14  C   UNL     1       0.145  -2.916   0.419  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.370  -0.094  -0.137  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.062   0.037   0.315  1.00  0.00           C  
HETATM   17  O   UNL     1       0.476  -2.470   1.497  1.00  0.00           O  
HETATM   18  C   UNL     1       0.827  -0.809  -0.597  1.00  0.00           C  
HETATM   19  O   UNL     1       2.578  -1.844   0.600  1.00  0.00           O  
HETATM   20  N   UNL     1       6.641   1.092  -0.148  1.00  0.00           N  
HETATM   21  OXT UNL     1      -4.136   3.405   0.995  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.586   1.759   1.262  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.624   0.570  -1.842  1.00  0.00           O  
HETATM   24  O   UNL     1       4.896   1.612  -1.415  1.00  0.00           O  
HETATM   25  O   UNL     1       7.496   1.929  -0.907  1.00  0.00           O  
HETATM   26  H   UNL     1      -5.438  -2.304  -1.830  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.028  -2.110  -0.162  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.011  -1.529  -1.528  1.00  0.00           H  
HETATM   29  H   UNL     1       4.792  -0.927   0.292  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.895  -0.780  -0.468  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.337   0.696  -1.292  1.00  0.00           H  
HETATM   32  H   UNL     1       5.419   0.529   2.198  1.00  0.00           H  
HETATM   33  H   UNL     1       4.045   1.601   1.832  1.00  0.00           H  
HETATM   34  H   UNL     1       3.752  -0.069   2.373  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.436   0.553   1.552  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.878   2.029   0.728  1.00  0.00           H  
HETATM   37  HA  UNL     1      -3.598   1.625  -1.058  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.656  -4.535  -0.718  1.00  0.00           H  
HETATM   39  H   UNL     1       0.319  -5.026   0.688  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.323  -4.380   0.925  1.00  0.00           H  
HETATM   41  H   UNL     1       0.015  -2.522  -1.554  1.00  0.00           H  
HETATM   42  H   UNL     1       2.785   0.940  -0.716  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.124  -0.801   0.481  1.00  0.00           H  
HETATM   44  H   UNL     1       0.391   1.018   0.457  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.167  -0.457   1.281  1.00  0.00           H  
HETATM   46  H   UNL     1       0.860  -0.361  -1.590  1.00  0.00           H  
HETATM   47  H   UNL     1       6.994   0.594   0.606  1.00  0.00           H  
HETATM   48  HXT UNL     1      -4.706   3.967   1.538  1.00  0.00           H  
HETATM   49  H   UNL     1       8.412   1.938  -0.598  1.00  0.00           H  
CONECT    1   13   18   19   19                                       
CONECT    2    9   26   27   28                                       
CONECT    3   10    5   13   29                                       
CONECT    4   16    6   30   31                                       
CONECT    5    3   32   33   34                                       
CONECT    6    4    7   35   36                                       
CONECT    7    6   15    8   37                                       
CONECT    8    7   22   22   21                                       
CONECT    9   15   23   23    2                                       
CONECT   10   24   24   20    3                                       
CONECT   11   14   38   39   40                                       
CONECT   12   14   18   41                                            
CONECT   13    3    1   42                                            
CONECT   14   17   17   12   11                                       
CONECT   15    7    9   43                                            
CONECT   16   18    4   44   45                                       
CONECT   17   14   14                                                 
CONECT   18   12    1   16   46                                       
CONECT   19    1    1                                                 
CONECT   20   25   10   47                                            
CONECT   21    8   48                                                 
CONECT   22    8    8                                                 
CONECT   23    9    9                                                 
CONECT   24   10   10                                                 
CONECT   25   20   49                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
