COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.814  -0.293   0.312  1.00  0.00           C  
HETATM    2  CA  UNL     1       3.579   0.434  -0.032  1.00  0.00           C  
HETATM    3  C   UNL     1       3.502   1.741   0.170  1.00  0.00           C  
HETATM    4  C   UNL     1       1.349   0.342  -1.348  1.00  0.00           C  
HETATM    5  C   UNL     1       1.943  -1.486  -0.523  1.00  0.00           C  
HETATM    6  C   UNL     1       4.708   2.379   0.809  1.00  0.00           C  
HETATM    7  C   UNL     1       2.373   2.663  -0.154  1.00  0.00           C  
HETATM    8  CA  UNL     1       0.620  -0.966  -1.059  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.454  -1.712  -0.021  1.00  0.00           C  
HETATM   10  N   UNL     1       2.486  -0.258  -0.580  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.422  -0.845  -0.037  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.245  -2.863   1.150  1.00  0.00           N  
HETATM   13  O   UNL     1       5.803   0.320   0.662  1.00  0.00           O  
HETATM   14  OXT UNL     1       4.845  -1.639   0.244  1.00  0.00           O  
HETATM   15  O   UNL     1       2.349  -2.577  -0.180  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.520  -2.591  -0.854  1.00  0.00           O  
HETATM   17  O   UNL     1      -6.139   2.475  -0.442  1.00  0.00           O  
HETATM   18  S   UNL     1       0.798   1.777  -0.363  1.00  0.00           S  
HETATM   19  CA  UNL     1      -2.526  -1.588   1.031  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.493  -0.501   0.637  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.389   0.755   1.206  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.479  -0.760  -0.297  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.273   1.753   0.846  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.366   0.235  -0.660  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.267   1.495  -0.086  1.00  0.00           C  
HETATM   26  H   UNL     1       1.539   0.552  -2.400  1.00  0.00           H  
HETATM   27  H   UNL     1       5.449   2.605   0.041  1.00  0.00           H  
HETATM   28  H   UNL     1       4.410   3.301   1.308  1.00  0.00           H  
HETATM   29  H   UNL     1       5.138   1.694   1.538  1.00  0.00           H  
HETATM   30  H   UNL     1       2.266   3.389   0.652  1.00  0.00           H  
HETATM   31  H   UNL     1       2.604   3.194  -1.079  1.00  0.00           H  
HETATM   32  HA  UNL     1       0.278  -1.483  -1.956  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.369  -0.142   0.629  1.00  0.00           H  
HETATM   34  H1  UNL     1      -3.926  -2.826   1.893  1.00  0.00           H  
HETATM   35  H2  UNL     1      -3.679  -3.117   0.275  1.00  0.00           H  
HETATM   36  HXT UNL     1       5.676  -2.072   0.484  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.846   3.007  -1.194  1.00  0.00           H  
HETATM   38  HA  UNL     1      -2.069  -1.338   1.988  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.615   0.956   1.932  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.556  -1.740  -0.743  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.192   2.734   1.291  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.136   0.033  -1.389  1.00  0.00           H  
CONECT    1    2   13   13   14                                       
CONECT    2    3    3   10    1                                       
CONECT    3    7    6    2    2                                       
CONECT    4   18    8   10   26                                       
CONECT    5    8   10   15   15                                       
CONECT    6    3   27   28   29                                       
CONECT    7   18    3   30   31                                       
CONECT    8   11    4    5   32                                       
CONECT    9   19   16   16   11                                       
CONECT   10    4    5    2                                            
CONECT   11    9    8   33                                            
CONECT   12   19   34   35                                            
CONECT   13    1    1                                                 
CONECT   14    1   36                                                 
CONECT   15    5    5                                                 
CONECT   16    9    9                                                 
CONECT   17   25   37                                                 
CONECT   18    7    4                                                 
CONECT   19   12   20    9   38                                       
CONECT   20   21   21   22   19                                       
CONECT   21   23   20   20   39                                       
CONECT   22   24   24   20   40                                       
CONECT   23   25   25   21   41                                       
CONECT   24   25   22   22   42                                       
CONECT   25   17   23   23   24                                       
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
