COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.321   1.394   1.117  1.00  0.00           C  
HETATM    2  C   UNL     1       6.608   1.280   0.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.026   1.157   1.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.533  -0.120   1.153  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.430   1.879  -0.632  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.003  -0.376   1.363  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.107  -0.429   0.215  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.405  -1.882  -0.052  1.00  0.00           C  
HETATM    9  CA  UNL     1      -5.825   0.438  -0.822  1.00  0.00           C  
HETATM   10  C   UNL     1       4.744  -0.230   0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       5.259   1.047   0.195  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.448   0.000  -2.172  1.00  0.00           N  
HETATM   13  N   UNL     1       2.528   0.587   0.570  1.00  0.00           N  
HETATM   14  C   UNL     1       1.166   0.350   0.763  1.00  0.00           C  
HETATM   15  N   UNL     1       3.379  -0.468   0.212  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.694  -1.163   0.806  1.00  0.00           C  
HETATM   17  C   UNL     1       7.448   0.237  -0.356  1.00  0.00           C  
HETATM   18  C   UNL     1       6.935  -1.040  -0.527  1.00  0.00           C  
HETATM   19  C   UNL     1       5.588  -1.275  -0.336  1.00  0.00           C  
HETATM   20  C   UNL     1       9.581  -0.651  -0.919  1.00  0.00           C  
HETATM   21  C   UNL     1       0.652  -0.930   0.602  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.697  -0.208   0.126  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.516  -2.631  -0.381  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.659  -2.344   0.078  1.00  0.00           O  
HETATM   25  OXT UNL     1      -6.008   2.613   0.333  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.593   2.375  -1.348  1.00  0.00           O  
HETATM   27  O   UNL     1       8.774   0.468  -0.545  1.00  0.00           O  
HETATM   28  H   UNL     1       0.716   2.392   1.239  1.00  0.00           H  
HETATM   29  H   UNL     1       7.008   2.274   0.141  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.684   1.969   1.579  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.147  -1.395   1.725  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.394   0.329   2.098  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.453  -0.164   1.213  1.00  0.00           H  
HETATM   34  HA  UNL     1      -6.903   0.337  -0.695  1.00  0.00           H  
HETATM   35  H   UNL     1       4.605   1.859   0.479  1.00  0.00           H  
HETATM   36  H1  UNL     1      -5.958   0.514  -2.875  1.00  0.00           H  
HETATM   37  H2  UNL     1      -4.452   0.084  -2.315  1.00  0.00           H  
HETATM   38  H   UNL     1       2.886   1.482   0.683  1.00  0.00           H  
HETATM   39  H   UNL     1       3.021  -1.362   0.099  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.093  -2.160   0.686  1.00  0.00           H  
HETATM   41  H   UNL     1       7.589  -1.851  -0.811  1.00  0.00           H  
HETATM   42  H   UNL     1       5.188  -2.269  -0.473  1.00  0.00           H  
HETATM   43  H   UNL     1       9.217  -1.062  -1.861  1.00  0.00           H  
HETATM   44  H   UNL     1      10.616  -0.329  -1.038  1.00  0.00           H  
HETATM   45  H   UNL     1       9.524  -1.414  -0.144  1.00  0.00           H  
HETATM   46  H   UNL     1       1.306  -1.745   0.331  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.801  -3.283  -0.104  1.00  0.00           H  
HETATM   48  HXT UNL     1      -5.721   3.533   0.416  1.00  0.00           H  
CONECT    1   14   14    3   28                                       
CONECT    2   11   11   17   29                                       
CONECT    3    4    4    1   30                                       
CONECT    4   16    6    3    3                                       
CONECT    5   26   26   25    9                                       
CONECT    6   22    4   31   32                                       
CONECT    7   22    9    8   33                                       
CONECT    8    7   23   23   24                                       
CONECT    9    5   12    7   34                                       
CONECT   10   11   15   19   19                                       
CONECT   11    2    2   10   35                                       
CONECT   12    9   36   37                                            
CONECT   13   14   15   38                                            
CONECT   14   21   13    1    1                                       
CONECT   15   13   10   39                                            
CONECT   16   21   21    4   40                                       
CONECT   17    2   27   18   18                                       
CONECT   18   17   17   19   41                                       
CONECT   19   10   10   18   42                                       
CONECT   20   27   43   44   45                                       
CONECT   21   16   16   14   46                                       
CONECT   22    7    6                                                 
CONECT   23    8    8                                                 
CONECT   24    8   47                                                 
CONECT   25    5   48                                                 
CONECT   26    5    5                                                 
CONECT   27   17   20                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
