COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.335   2.979   0.933  1.00  0.00           C  
HETATM    2  C   UNL     1       1.075  -0.665  -0.544  1.00  0.00           C  
HETATM    3  C   UNL     1       2.396  -0.853  -0.454  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.660   2.218  -0.211  1.00  0.00           C  
HETATM    5  C   UNL     1       0.327  -3.052   0.059  1.00  0.00           C  
HETATM    6  CA  UNL     1       0.000  -1.652  -0.318  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.467   0.111  -0.825  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.276   0.816   0.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.524   0.025   0.558  1.00  0.00           C  
HETATM   10  C   UNL     1       3.340   0.292  -0.718  1.00  0.00           C  
HETATM   11  C   UNL     1       4.268   0.475   0.485  1.00  0.00           C  
HETATM   12  C   UNL     1       5.226   1.637   0.217  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.210  -1.285  -0.451  1.00  0.00           N  
HETATM   14  OXT UNL     1      -0.661  -3.943   0.262  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.430  -1.242   0.992  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.610   0.530   0.400  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.486   2.921  -0.622  1.00  0.00           O  
HETATM   18  O   UNL     1       1.486  -3.392   0.184  1.00  0.00           O  
HETATM   19  S   UNL     1       0.210   0.836  -0.956  1.00  0.00           S  
HETATM   20  H   UNL     1      -2.682   2.975   1.806  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.523   4.007   0.624  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.279   2.495   1.183  1.00  0.00           H  
HETATM   23  H   UNL     1       2.786  -1.825  -0.192  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.350   2.140  -1.051  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.986   0.167  -1.782  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.674   0.893   1.172  1.00  0.00           H  
HETATM   27  H   UNL     1       3.934   0.075  -1.605  1.00  0.00           H  
HETATM   28  H   UNL     1       2.767   1.205  -0.878  1.00  0.00           H  
HETATM   29  H   UNL     1       3.673   0.692   1.372  1.00  0.00           H  
HETATM   30  H   UNL     1       4.840  -0.438   0.645  1.00  0.00           H  
HETATM   31  H   UNL     1       5.821   1.421  -0.671  1.00  0.00           H  
HETATM   32  H   UNL     1       4.654   2.551   0.057  1.00  0.00           H  
HETATM   33  HXT UNL     1      -0.399  -4.842   0.506  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.258  -1.709   1.166  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.655   3.819  -0.937  1.00  0.00           H  
HETATM   36  O   UNL     1       6.093   1.809   1.340  1.00  0.00           O  
HETATM   37  H   UNL     1       6.729   2.530   1.240  1.00  0.00           H  
CONECT    1    4   20   21   22                                       
CONECT    2    6    3    3   19                                       
CONECT    3    2    2   10   23                                       
CONECT    4    8   17    1   24                                       
CONECT    5   18   18   14    6                                       
CONECT    6    5   13   13    2                                       
CONECT    7   13    8   19   25                                       
CONECT    8    9    4    7   26                                       
CONECT    9   16   16   15    8                                       
CONECT   10    3   11   27   28                                       
CONECT   11   10   12   29   30                                       
CONECT   12   11   31   32   36                                       
CONECT   13    6    6    7                                            
CONECT   14    5   33                                                 
CONECT   15    9   34                                                 
CONECT   16    9    9                                                 
CONECT   17    4   35                                                 
CONECT   18    5    5                                                 
CONECT   19    2    7                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   12   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
