COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -9.056  -1.924  -3.444  1.00  0.00           S  
HETATM    2  C   UNL     1      -9.670  -0.206  -3.395  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.597   0.841  -3.107  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.191   2.138  -2.610  1.00  0.00           C  
HETATM    5  CA  UNL     1      -7.272   0.615  -3.269  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.266   1.592  -2.826  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.004   2.450  -3.830  1.00  0.00           O  
HETATM    8  OXT UNL     1      -5.764   1.603  -1.720  1.00  0.00           O  
HETATM    9  N   UNL     1      -6.811  -0.550  -3.793  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.647  -1.506  -4.496  1.00  0.00           C  
HETATM   11  CA  UNL     1      -6.436  -2.455  -4.443  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.651  -1.235  -3.895  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.504  -0.997  -3.598  1.00  0.00           O  
HETATM   14  N   UNL     1      -6.479  -3.588  -3.502  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.352  -4.325  -3.173  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.222  -4.124  -3.614  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.636  -5.439  -2.184  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.386  -6.244  -1.829  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.671  -7.325  -0.775  1.00  0.00           C  
HETATM   20  CA  UNL     1      -3.468  -8.206  -0.417  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.364  -7.350   0.105  1.00  0.00           N1+
HETATM   22  C   UNL     1      -3.809  -9.291   0.582  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.326  -9.389   1.702  1.00  0.00           O  
HETATM   24  OXT UNL     1      -4.731 -10.162   0.097  1.00  0.00           O  
HETATM   25  O   UNL     1     -10.059   2.662  -3.593  1.00  0.00           O  
HETATM   26  C   UNL     1     -10.678   3.846  -3.283  1.00  0.00           C  
HETATM   27  O   UNL     1     -10.541   4.473  -2.242  1.00  0.00           O  
HETATM   28  C   UNL     1     -11.563   4.280  -4.413  1.00  0.00           C  
HETATM   29  H   UNL     1     -10.434  -0.177  -2.611  1.00  0.00           H  
HETATM   30  H   UNL     1     -10.159   0.024  -4.348  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.396   2.848  -2.406  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.753   1.942  -1.702  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.335   3.119  -3.571  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.905  -1.180  -5.511  1.00  0.00           H  
HETATM   35  HA  UNL     1      -6.087  -2.789  -5.422  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.364  -3.847  -3.075  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.053  -4.990  -1.274  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.411  -6.091  -2.602  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.965  -6.703  -2.731  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.635  -5.545  -1.444  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.043  -6.842   0.137  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.483  -7.969  -1.134  1.00  0.00           H  
HETATM   43  HA  UNL     1      -3.059  -8.679  -1.316  1.00  0.00           H  
HETATM   44  H1  UNL     1      -1.698  -7.130  -0.640  1.00  0.00           H  
HETATM   45  H2  UNL     1      -1.862  -7.831   0.855  1.00  0.00           H  
HETATM   46  H3  UNL     1      -2.735  -6.472   0.476  1.00  0.00           H  
HETATM   47  HXT UNL     1      -4.988 -10.883   0.711  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.339   3.530  -4.585  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.965   4.429  -5.316  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.044   5.227  -4.154  1.00  0.00           H  
CONECT    1    2   10                                                 
CONECT    2    1    3   29   30                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   25   31   32                                       
CONECT    5    3    3    6    9                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   33                                                 
CONECT    8    6    6                                                 
CONECT    9    5   10   12                                            
CONECT   10    1    9   11   34                                       
CONECT   11   10   12   14   35                                       
CONECT   12    9   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   36                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   21   22   43                                       
CONECT   21   20   44   45   46                                       
CONECT   22   20   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   47                                                 
CONECT   25    4   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   48   49   50                                       
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
