COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      41.896  69.686  64.712  1.00  0.00           N  
HETATM    2  C   UNL     1      40.573  69.904  64.597  1.00  0.00           C  
HETATM    3  N   UNL     1      39.592  69.051  65.034  1.00  0.00           N  
HETATM    4  C   UNL     1      42.629  70.701  64.177  1.00  0.00           C  
HETATM    5  C   UNL     1      41.721  71.727  63.590  1.00  0.00           C  
HETATM    6  C   UNL     1      42.022  73.031  62.898  1.00  0.00           C  
HETATM    7  C   UNL     1      44.127  70.742  64.183  1.00  0.00           C  
HETATM    8  C   UNL     1      39.659  67.823  65.705  1.00  0.00           C  
HETATM    9  C   UNL     1      38.505  67.376  66.372  1.00  0.00           C  
HETATM   10  C   UNL     1      38.507  66.155  67.075  1.00  0.00           C  
HETATM   11  C   UNL     1      39.659  65.373  67.082  1.00  0.00           C  
HETATM   12  C   UNL     1      40.794  65.816  66.403  1.00  0.00           C  
HETATM   13  C   UNL     1      40.807  67.034  65.709  1.00  0.00           C  
HETATM   14  S   UNL     1      40.045  71.336  63.775  1.00  0.00           S  
HETATM   15  C   UNL     1      43.448  73.444  62.732  1.00  0.00           C  
HETATM   16  O   UNL     1      41.107  73.735  62.468  1.00  0.00           O  
HETATM   17  H   UNL     1      38.662  69.361  64.839  1.00  0.00           H  
HETATM   18  H   UNL     1      44.498  70.752  63.148  1.00  0.00           H  
HETATM   19  H   UNL     1      44.467  71.650  64.703  1.00  0.00           H  
HETATM   20  H   UNL     1      44.516  69.854  64.703  1.00  0.00           H  
HETATM   21  H   UNL     1      43.679  73.546  61.661  1.00  0.00           H  
HETATM   22  H   UNL     1      43.611  74.409  63.235  1.00  0.00           H  
HETATM   23  H   UNL     1      44.104  72.682  63.178  1.00  0.00           H  
HETATM   24  H   UNL     1      37.607  67.975  66.345  1.00  0.00           H  
HETATM   25  H   UNL     1      41.695  67.356  65.185  1.00  0.00           H  
HETATM   26  H   UNL     1      37.623  65.829  67.603  1.00  0.00           H  
HETATM   27  H   UNL     1      39.674  64.430  67.609  1.00  0.00           H  
HETATM   28  H   UNL     1      41.685  65.206  66.412  1.00  0.00           H  
CONECT    1    2    2    4                                            
CONECT    2    1    1    3   14                                       
CONECT    3    2    8   17                                            
CONECT    4    1    5    5    7                                       
CONECT    5    4    4    6   14                                       
CONECT    6    5   15   16   16                                       
CONECT    7    4   18   19   20                                       
CONECT    8    3    9   13   13                                       
CONECT    9    8   10   10   24                                       
CONECT   10    9    9   11   26                                       
CONECT   11   10   12   12   27                                       
CONECT   12   11   11   13   28                                       
CONECT   13    8    8   12   25                                       
CONECT   14    2    5                                                 
CONECT   15    6   21   22   23                                       
CONECT   16    6    6                                                 
CONECT   17    3                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
CONECT   21   15                                                      
CONECT   22   15                                                      
CONECT   23   15                                                      
CONECT   24    9                                                      
CONECT   25   13                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
