COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.204   3.082  -2.205  1.00  0.00           O  
HETATM    2  N   UNL     1       0.693   1.240  -0.161  1.00  0.00           N  
HETATM    3  CA  UNL     1      -0.111   2.432   0.121  1.00  0.00           C  
HETATM    4  C   UNL     1       0.209   3.518  -0.908  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.597   2.076   0.042  1.00  0.00           C  
HETATM    6  C   UNL     1       5.986   0.779   1.336  1.00  0.00           C  
HETATM    7  C   UNL     1       2.632  -2.537  -0.375  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.150  -1.434  -0.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.624   0.668  -1.315  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.905  -0.648   2.289  1.00  0.00           C  
HETATM   11  C   UNL     1       1.948   1.145   0.320  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.527  -0.259  -0.119  1.00  0.00           C  
HETATM   13  C   UNL     1       2.704  -0.122   0.172  1.00  0.00           C  
HETATM   14  CA  UNL     1      -2.737   0.153   1.048  1.00  0.00           C  
HETATM   15  C   UNL     1       0.261  -2.454  -1.144  1.00  0.00           C  
HETATM   16  C   UNL     1       2.020  -1.338  -0.318  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.029  -2.639  -1.611  1.00  0.00           N  
HETATM   18  N   UNL     1       3.970  -0.164   0.475  1.00  0.00           N  
HETATM   19  N   UNL     1       0.754  -1.326  -0.736  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.922   1.132   1.099  1.00  0.00           N  
HETATM   21  O   UNL     1      -3.737  -1.531   2.334  1.00  0.00           O  
HETATM   22  O   UNL     1       2.461   2.097   0.874  1.00  0.00           O  
HETATM   23  OXT UNL     1      -2.134  -0.395   3.363  1.00  0.00           O  
HETATM   24  O   UNL     1       4.597   0.965   1.057  1.00  0.00           O  
HETATM   25  S   UNL     1      -1.956   1.351  -1.584  1.00  0.00           S  
HETATM   26  S   UNL     1       1.485  -3.713  -1.011  1.00  0.00           S  
HETATM   27  H   UNL     1      -0.032   3.722  -2.909  1.00  0.00           H  
HETATM   28  H   UNL     1       0.321   0.520  -0.693  1.00  0.00           H  
HETATM   29  HA  UNL     1       0.122   2.799   1.121  1.00  0.00           H  
HETATM   30  H1  UNL     1       1.282   3.709  -0.914  1.00  0.00           H  
HETATM   31  H2  UNL     1      -0.321   4.434  -0.647  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.191   2.980   0.170  1.00  0.00           H  
HETATM   33  H   UNL     1       6.109  -0.052   2.031  1.00  0.00           H  
HETATM   34  H   UNL     1       6.516   0.559   0.409  1.00  0.00           H  
HETATM   35  H   UNL     1       6.392   1.688   1.780  1.00  0.00           H  
HETATM   36  H   UNL     1       3.652  -2.741  -0.086  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.810  -1.689  -0.943  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.996  -2.133   0.681  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.945   0.110  -2.194  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.327   1.473  -1.106  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.643  -1.889  -1.652  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.319  -3.519  -1.899  1.00  0.00           H  
HETATM   43  HXT UNL     1      -2.280  -0.942   4.147  1.00  0.00           H  
CONECT    1    4   27                                                 
CONECT    2   11    3   28                                            
CONECT    3    5    2    4   29                                       
CONECT    4    3    1   30   31                                       
CONECT    5   25   20    3   32                                       
CONECT    6   24   33   34   35                                       
CONECT    7   16   16   26   36                                       
CONECT    8   12   12   37   38                                       
CONECT    9   12   25   39   40                                       
CONECT   10   14   21   21   23                                       
CONECT   11   22   22    2   13                                       
CONECT   12    9    8    8   14                                       
CONECT   13   11   18   18   16                                       
CONECT   14   12   20   20   10                                       
CONECT   15   26   19   19   17                                       
CONECT   16   13    7    7   19                                       
CONECT   17   15   41   42                                            
CONECT   18   24   13   13                                            
CONECT   19   16   15   15                                            
CONECT   20    5   14   14                                            
CONECT   21   10   10                                                 
CONECT   22   11   11                                                 
CONECT   23   10   43                                                 
CONECT   24    6   18                                                 
CONECT   25    9    5                                                 
CONECT   26    7   15                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
