COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      69.172  72.836  98.524  1.00  0.00           O  
HETATM    2  C   UNL     1      68.376  72.223  99.247  1.00  0.00           C  
HETATM    3  N   UNL     1      68.442  70.907  99.412  1.00  0.00           N  
HETATM    4  C   UNL     1      69.306  70.097  98.537  1.00  0.00           C  
HETATM    5  C   UNL     1      68.652  69.405  97.313  1.00  0.00           C  
HETATM    6  C   UNL     1      67.873  70.296  96.316  1.00  0.00           C  
HETATM    7  O   UNL     1      68.796  71.115  95.560  1.00  0.00           O  
HETATM    8  C   UNL     1      68.437  72.499  95.437  1.00  0.00           C  
HETATM    9  C   UNL     1      67.227  73.006  99.804  1.00  0.00           C  
HETATM   10  C   UNL     1      65.955  72.573  99.439  1.00  0.00           C  
HETATM   11  C   UNL     1      67.438  74.165 100.587  1.00  0.00           C  
HETATM   12  N   UNL     1      66.368  74.883 101.030  1.00  0.00           N  
HETATM   13  C   UNL     1      65.122  74.488 100.690  1.00  0.00           C  
HETATM   14  C   UNL     1      64.888  73.338  99.886  1.00  0.00           C  
HETATM   15  S   UNL     1      63.371  72.949  99.574  1.00  0.00           S  
HETATM   16  O   UNL     1      62.731  74.171  98.876  1.00  0.00           O  
HETATM   17  O   UNL     1      62.748  72.687 100.949  1.00  0.00           O  
HETATM   18  N   UNL     1      63.249  71.615  98.563  1.00  0.00           N  
HETATM   19  S   UNL     1      69.045  74.618 100.980  1.00  0.00           S  
HETATM   20  C   UNL     1      68.990  75.968 102.027  1.00  0.00           C  
HETATM   21  C   UNL     1      68.792  75.790 103.410  1.00  0.00           C  
HETATM   22  C   UNL     1      68.765  76.880 104.274  1.00  0.00           C  
HETATM   23  C   UNL     1      68.950  78.164 103.762  1.00  0.00           C  
HETATM   24  C   UNL     1      69.179  78.348 102.393  1.00  0.00           C  
HETATM   25  C   UNL     1      69.207  77.249 101.522  1.00  0.00           C  
HETATM   26  H   UNL     1      67.905  70.466 100.131  1.00  0.00           H  
HETATM   27  H   UNL     1      70.081  70.771  98.144  1.00  0.00           H  
HETATM   28  H   UNL     1      69.656  69.271  99.174  1.00  0.00           H  
HETATM   29  H   UNL     1      69.464  68.927  96.746  1.00  0.00           H  
HETATM   30  H   UNL     1      67.896  68.729  97.740  1.00  0.00           H  
HETATM   31  H   UNL     1      67.304  69.657  95.625  1.00  0.00           H  
HETATM   32  H   UNL     1      67.185  70.948  96.874  1.00  0.00           H  
HETATM   33  H   UNL     1      68.345  72.945  96.438  1.00  0.00           H  
HETATM   34  H   UNL     1      69.215  73.030  94.869  1.00  0.00           H  
HETATM   35  H   UNL     1      67.476  72.583  94.909  1.00  0.00           H  
HETATM   36  H   UNL     1      65.807  71.687  98.839  1.00  0.00           H  
HETATM   37  H   UNL     1      64.277  75.063 101.039  1.00  0.00           H  
HETATM   38  H   UNL     1      63.225  71.919  97.611  1.00  0.00           H  
HETATM   39  H   UNL     1      64.039  71.018  98.702  1.00  0.00           H  
HETATM   40  H   UNL     1      68.659  74.794 103.805  1.00  0.00           H  
HETATM   41  H   UNL     1      68.602  76.733 105.332  1.00  0.00           H  
HETATM   42  H   UNL     1      68.917  79.018 104.423  1.00  0.00           H  
HETATM   43  H   UNL     1      69.335  79.344 102.005  1.00  0.00           H  
HETATM   44  H   UNL     1      69.395  77.394 100.468  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4   26                                            
CONECT    4    3    5   27   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8                                                 
CONECT    8    7   33   34   35                                       
CONECT    9    2   10   10   11                                       
CONECT   10    9    9   14   36                                       
CONECT   11    9   12   12   19                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   37                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   38   39                                            
CONECT   19   11   20                                                 
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   40                                       
CONECT   22   21   23   23   41                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   20   24   24   44                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
