COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.692  -0.161  -2.065  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.041  -1.105  -2.243  1.00  0.00           O  
HETATM    3  CA  UNL     1       0.639   0.600  -0.765  1.00  0.00           C  
HETATM    4  C   UNL     1       2.006   0.535  -0.080  1.00  0.00           C  
HETATM    5  S   UNL     1       2.507  -1.208   0.237  1.00  0.00           S  
HETATM    6  C   UNL     1       4.311  -0.864   0.180  1.00  0.00           C  
HETATM    7  C   UNL     1       4.884  -0.755   1.594  1.00  0.00           C  
HETATM    8  C   UNL     1       5.041  -1.947  -0.617  1.00  0.00           C  
HETATM    9  CA  UNL     1       4.395   0.493  -0.545  1.00  0.00           C  
HETATM   10  C   UNL     1       4.988   1.510   0.396  1.00  0.00           C  
HETATM   11  O   UNL     1       4.268   2.284   0.980  1.00  0.00           O  
HETATM   12  OXT UNL     1       6.317   1.557   0.583  1.00  0.00           O  
HETATM   13  N   UNL     1       3.089   0.977  -1.002  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.374   0.003   0.109  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.666   0.369  -0.008  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.990   1.192  -0.837  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.707  -0.245   0.891  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.732  -1.738   0.686  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.588  -2.498   1.386  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.980  -2.251  -0.109  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.060   0.330   0.559  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.613   0.211  -0.649  1.00  0.00           C  
HETATM   23  S   UNL     1      -6.183   1.003  -0.660  1.00  0.00           S  
HETATM   24  C   UNL     1      -5.996   1.464   1.027  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.826   1.016   1.485  1.00  0.00           C  
HETATM   26  H   UNL     1       1.388   0.135  -2.836  1.00  0.00           H  
HETATM   27  HA  UNL     1       0.380   1.640  -0.963  1.00  0.00           H  
HETATM   28  H   UNL     1       2.010   1.119   0.840  1.00  0.00           H  
HETATM   29  H   UNL     1       4.743  -1.702   2.117  1.00  0.00           H  
HETATM   30  H   UNL     1       5.948  -0.526   1.539  1.00  0.00           H  
HETATM   31  H   UNL     1       4.369   0.038   2.135  1.00  0.00           H  
HETATM   32  H   UNL     1       4.636  -1.989  -1.628  1.00  0.00           H  
HETATM   33  H   UNL     1       6.104  -1.711  -0.661  1.00  0.00           H  
HETATM   34  H   UNL     1       4.903  -2.912  -0.130  1.00  0.00           H  
HETATM   35  HA  UNL     1       5.052   0.390  -1.409  1.00  0.00           H  
HETATM   36  HXT UNL     1       6.650   2.227   1.196  1.00  0.00           H  
HETATM   37  H   UNL     1       2.904   0.678  -1.948  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.115  -0.656   0.773  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.465  -0.025   1.931  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.567  -3.450   1.220  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.165  -0.294  -1.492  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.719   2.021   1.604  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.497   1.184   2.501  1.00  0.00           H  
CONECT    1    3    2    2   26                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   14   27                                       
CONECT    4    5   13    3   28                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    9    8                                       
CONECT    7    6   29   30   31                                       
CONECT    8    6   32   33   34                                       
CONECT    9   13    6   10   35                                       
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   36                                                 
CONECT   13    4    9   37                                            
CONECT   14    3   15   38                                            
CONECT   15   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   21   39                                       
CONECT   18   20   20   19   17                                       
CONECT   19   18   40                                                 
CONECT   20   18   18                                                 
CONECT   21   25   17   22   22                                       
CONECT   22   21   21   23   41                                       
CONECT   23   24   22                                                 
CONECT   24   25   25   23   42                                       
CONECT   25   24   24   21   43                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
