COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.512  -0.206   2.464  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.531   0.282   1.957  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.560   0.698   0.508  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.298   2.099   0.410  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.302   2.599  -0.929  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.938   0.394  -0.082  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.336  -1.398   0.049  1.00  0.00           S  
HETATM    8  C   UNL     1      -4.155  -1.151   0.098  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.774  -1.420  -1.276  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.795  -2.048   1.160  1.00  0.00           C  
HETATM   11  CA  UNL     1      -4.307   0.333   0.479  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.990   1.059  -0.651  1.00  0.00           C  
HETATM   13  OXT UNL     1      -6.323   0.984  -0.787  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.338   1.707  -1.435  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.022   0.986   0.751  1.00  0.00           N  
HETATM   16  N   UNL     1       0.463  -0.043  -0.233  1.00  0.00           N  
HETATM   17  C   UNL     1       1.768   0.244  -0.052  1.00  0.00           C  
HETATM   18  O   UNL     1       2.100   1.048   0.793  1.00  0.00           O  
HETATM   19  C   UNL     1       2.813  -0.434  -0.900  1.00  0.00           C  
HETATM   20  C   UNL     1       2.737  -1.925  -0.694  1.00  0.00           C  
HETATM   21  O   UNL     1       1.918  -2.389   0.063  1.00  0.00           O  
HETATM   22  O   UNL     1       3.579  -2.737  -1.352  1.00  0.00           O  
HETATM   23  C   UNL     1       4.180   0.059  -0.501  1.00  0.00           C  
HETATM   24  C   UNL     1       5.026   0.705  -1.385  1.00  0.00           C  
HETATM   25  C   UNL     1       6.198   1.081  -0.870  1.00  0.00           C  
HETATM   26  S   UNL     1       6.275   0.612   0.824  1.00  0.00           S  
HETATM   27  C   UNL     1       4.664  -0.089   0.734  1.00  0.00           C  
HETATM   28  H   UNL     1       0.365   0.426   2.542  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.279   2.422  -1.380  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.095   3.669  -0.919  1.00  0.00           H  
HETATM   31  H   UNL     1       0.465   2.086  -1.511  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.005   0.738  -1.115  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.271  -0.810  -2.026  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.657  -2.474  -1.527  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.834  -1.168  -1.253  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.856  -1.812   1.244  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.677  -3.093   0.871  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.307  -1.879   2.120  1.00  0.00           H  
HETATM   39  HA  UNL     1      -4.932   0.406   1.369  1.00  0.00           H  
HETATM   40  HXT UNL     1      -6.717   1.467  -1.528  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.085   1.983   0.609  1.00  0.00           H  
HETATM   42  H   UNL     1       0.202  -0.741  -0.854  1.00  0.00           H  
HETATM   43  H   UNL     1       2.636  -0.202  -1.950  1.00  0.00           H  
HETATM   44  H   UNL     1       3.492  -3.686  -1.188  1.00  0.00           H  
HETATM   45  H   UNL     1       4.759   0.890  -2.415  1.00  0.00           H  
HETATM   46  H   UNL     1       6.979   1.595  -1.410  1.00  0.00           H  
HETATM   47  H   UNL     1       4.145  -0.564   1.553  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   28                                       
CONECT    3   16    6    2    4                                       
CONECT    4    3    5                                                 
CONECT    5    4   29   30   31                                       
CONECT    6    7   15    3   32                                       
CONECT    7    8    6                                                 
CONECT    8   10   11    9    7                                       
CONECT    9    8   33   34   35                                       
CONECT   10    8   36   37   38                                       
CONECT   11   12    8   15   39                                       
CONECT   12   14   14   13   11                                       
CONECT   13   12   40                                                 
CONECT   14   12   12                                                 
CONECT   15   11    6   41                                            
CONECT   16   17    3   42                                            
CONECT   17   19   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   23   20   17   43                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   44                                                 
CONECT   23   24   27   27   19                                       
CONECT   24   25   25   23   45                                       
CONECT   25   24   24   26   46                                       
CONECT   26   25   27                                                 
CONECT   27   26   23   23   47                                       
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
