COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.550   1.822  -0.119  1.00  0.00           C  
HETATM    2  O   UNL     1       2.256   2.151   0.062  1.00  0.00           O  
HETATM    3  C   UNL     1       2.118   3.483  -0.025  1.00  0.00           C  
HETATM    4  C   UNL     1       3.328   4.029  -0.265  1.00  0.00           C  
HETATM    5  C   UNL     1       4.255   2.972  -0.321  1.00  0.00           C  
HETATM    6  C   UNL     1       7.338  -0.904  -0.421  1.00  0.00           C  
HETATM    7  O   UNL     1       5.939  -1.024  -0.158  1.00  0.00           O  
HETATM    8  N   UNL     1       5.385   0.273  -0.286  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.174  -2.596   0.076  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.186   0.206  -0.553  1.00  0.00           C  
HETATM   11  C   UNL     1       3.217  -0.702   0.142  1.00  0.00           C  
HETATM   12  C   UNL     1       4.108   0.459  -0.096  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.181   0.706   0.612  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.798  -0.174  -0.103  1.00  0.00           C  
HETATM   15  CA  UNL     1      -2.318  -1.524  -0.546  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.328  -1.221   1.179  1.00  0.00           C  
HETATM   17  CA  UNL     1       1.014  -1.648   0.576  1.00  0.00           C  
HETATM   18  C   UNL     1       0.228  -2.198  -0.599  1.00  0.00           C  
HETATM   19  N   UNL     1       1.884  -0.523   0.225  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.925  -1.703  -0.107  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.494  -2.627  -0.170  1.00  0.00           O  
HETATM   22  OXT UNL     1      -2.674  -3.427   0.796  1.00  0.00           O  
HETATM   23  O   UNL     1       3.689  -1.815   0.262  1.00  0.00           O  
HETATM   24  O   UNL     1       0.523  -2.812  -1.603  1.00  0.00           O  
HETATM   25  S   UNL     1      -0.554   0.583   1.266  1.00  0.00           S  
HETATM   26  O   UNL     1      -4.511   1.530  -0.052  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.708   2.079  -0.331  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.516   1.468  -1.002  1.00  0.00           O  
HETATM   29  N   UNL     1      -6.010   3.308   0.134  1.00  0.00           N  
HETATM   30  H   UNL     1       1.191   4.028   0.079  1.00  0.00           H  
HETATM   31  H   UNL     1       3.546   5.080  -0.386  1.00  0.00           H  
HETATM   32  H   UNL     1       5.317   3.054  -0.496  1.00  0.00           H  
HETATM   33  H   UNL     1       7.486  -0.518  -1.430  1.00  0.00           H  
HETATM   34  H   UNL     1       7.809  -1.883  -0.334  1.00  0.00           H  
HETATM   35  H   UNL     1       7.786  -0.219   0.299  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.904  -0.516  -0.164  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.226   0.210  -1.642  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.722   1.614   0.833  1.00  0.00           H  
HETATM   39  HA  UNL     1      -2.374  -1.594  -1.633  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.633  -1.758   2.077  1.00  0.00           H  
HETATM   41  HA  UNL     1       1.528  -2.415   1.155  1.00  0.00           H  
HETATM   42  H   UNL     1       1.500   0.351   0.052  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.044  -3.315   0.230  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.366   3.796   0.670  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.873   3.704  -0.067  1.00  0.00           H  
CONECT    1    2    5    5   12                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    1    1    4   32                                       
CONECT    6    7   33   34   35                                       
CONECT    7    6    8                                                 
CONECT    8    7   12   12                                            
CONECT    9   15   21   22   22                                       
CONECT   10   14   26   36   37                                       
CONECT   11   12   19   23   23                                       
CONECT   12    1    8    8   11                                       
CONECT   13   14   14   25   38                                       
CONECT   14   10   13   13   15                                       
CONECT   15    9   14   20   39                                       
CONECT   16   17   20   25   40                                       
CONECT   17   16   18   19   41                                       
CONECT   18   17   20   24   24                                       
CONECT   19   11   17   42                                            
CONECT   20   15   16   18                                            
CONECT   21    9   43                                                 
CONECT   22    9    9                                                 
CONECT   23   11   11                                                 
CONECT   24   18   18                                                 
CONECT   25   13   16                                                 
CONECT   26   10   27                                                 
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   44   45                                            
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   29                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
