COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.088   1.424  -0.864  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.480   1.816  -1.207  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.090   0.235  -0.556  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.051   1.563   0.240  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.264  -0.879  -0.133  1.00  0.00           C  
HETATM    6  C   UNL     1       1.763  -2.032   0.204  1.00  0.00           C  
HETATM    7  CA  UNL     1       0.936  -0.895   0.044  1.00  0.00           C  
HETATM    8  C   UNL     1       1.391   0.324   0.366  1.00  0.00           C  
HETATM    9  C   UNL     1       2.760   0.648   0.909  1.00  0.00           C  
HETATM   10  C   UNL     1       3.729   0.872  -0.253  1.00  0.00           C  
HETATM   11  C   UNL     1       5.118   1.200   0.298  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.336   0.213   0.331  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.355  -1.031  -0.447  1.00  0.00           N  
HETATM   14  OXT UNL     1       1.263  -3.267  -0.017  1.00  0.00           O  
HETATM   15  O   UNL     1       2.925  -1.897   0.540  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.204   1.550   1.084  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.961  -1.569  -1.077  1.00  0.00           O  
HETATM   18  S   UNL     1       0.095   1.485   0.038  1.00  0.00           S  
HETATM   19  H   UNL     1       6.143   0.520  -1.471  1.00  0.00           H  
HETATM   20  H   UNL     1       5.735   2.253  -1.478  1.00  0.00           H  
HETATM   21  H   UNL     1       7.078   1.658  -0.472  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.076   0.975  -1.561  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.074   2.729  -1.255  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.595   1.924  -1.834  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.363   0.430  -1.593  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.374   2.355   0.562  1.00  0.00           H  
HETATM   27  H   UNL     1       2.705   1.552   1.516  1.00  0.00           H  
HETATM   28  H   UNL     1       3.112  -0.181   1.522  1.00  0.00           H  
HETATM   29  H   UNL     1       3.784  -0.032  -0.860  1.00  0.00           H  
HETATM   30  H   UNL     1       3.376   1.700  -0.867  1.00  0.00           H  
HETATM   31  H   UNL     1       5.471   0.371   0.911  1.00  0.00           H  
HETATM   32  H   UNL     1       5.064   2.104   0.905  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.043   0.026   1.365  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.738  -1.886  -0.696  1.00  0.00           H  
HETATM   35  HXT UNL     1       1.902  -3.980   0.117  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.707   2.375   1.076  1.00  0.00           H  
HETATM   37  O   UNL     1      -4.429  -1.085   0.502  1.00  0.00           O  
HETATM   38  H   UNL     1      -4.991  -1.797   0.167  1.00  0.00           H  
CONECT    1   11   19   20   21                                       
CONECT    2    4   22   23   24                                       
CONECT    3   13   12   18   25                                       
CONECT    4   12    2   16   26                                       
CONECT    5   17   17   12   37                                       
CONECT    6   15   15   14    7                                       
CONECT    7    6    8    8   13                                       
CONECT    8    9    7    7   18                                       
CONECT    9   10    8   27   28                                       
CONECT   10   11    9   29   30                                       
CONECT   11    1   10   31   32                                       
CONECT   12    5    3    4   33                                       
CONECT   13    7    3   34                                            
CONECT   14    6   35                                                 
CONECT   15    6    6                                                 
CONECT   16    4   36                                                 
CONECT   17    5    5                                                 
CONECT   18    8    3                                                 
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37    5   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
