COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      85.409   6.800  26.773  1.00  0.00           O  
HETATM    2  C   UNL     1      84.665   7.649  26.221  1.00  0.00           C  
HETATM    3  O   UNL     1      85.031   8.272  25.193  1.00  0.00           O  
HETATM    4  C   UNL     1      83.325   7.942  26.790  1.00  0.00           C  
HETATM    5  C   UNL     1      82.516   7.007  27.309  1.00  0.00           C  
HETATM    6  C   UNL     1      81.198   7.378  27.898  1.00  0.00           C  
HETATM    7  C   UNL     1      80.352   6.408  28.447  1.00  0.00           C  
HETATM    8  C   UNL     1      80.783   8.711  27.920  1.00  0.00           C  
HETATM    9  C   UNL     1      79.551   9.072  28.466  1.00  0.00           C  
HETATM   10  C   UNL     1      78.712   8.105  29.004  1.00  0.00           C  
HETATM   11  C   UNL     1      79.110   6.776  28.999  1.00  0.00           C  
HETATM   12  C   UNL     1      78.206   5.753  29.581  1.00  0.00           C  
HETATM   13  B   UNL     1      77.681   4.802  28.390  1.00  0.00           B  
HETATM   14  O   UNL     1      77.139   5.500  27.129  1.00  0.00           O  
HETATM   15  O   UNL     1      78.575   3.613  28.049  1.00  0.00           O  
HETATM   16  N   UNL     1      79.004   5.010  30.549  1.00  0.00           N  
HETATM   17  C   UNL     1      79.410   5.528  31.716  1.00  0.00           C  
HETATM   18  O   UNL     1      79.183   6.664  32.120  1.00  0.00           O  
HETATM   19  C   UNL     1      80.257   4.595  32.545  1.00  0.00           C  
HETATM   20  C   UNL     1      81.665   5.032  32.244  1.00  0.00           C  
HETATM   21  C   UNL     1      82.342   5.415  31.089  1.00  0.00           C  
HETATM   22  C   UNL     1      83.667   5.750  31.334  1.00  0.00           C  
HETATM   23  C   UNL     1      84.075   5.663  32.664  1.00  0.00           C  
HETATM   24  S   UNL     1      82.711   5.128  33.599  1.00  0.00           S  
HETATM   25  H   UNL     1      86.227   6.736  26.294  1.00  0.00           H  
HETATM   26  H   UNL     1      82.983   8.966  26.786  1.00  0.00           H  
HETATM   27  H   UNL     1      82.823   5.972  27.300  1.00  0.00           H  
HETATM   28  H   UNL     1      80.653   5.371  28.447  1.00  0.00           H  
HETATM   29  H   UNL     1      81.426   9.475  27.508  1.00  0.00           H  
HETATM   30  H   UNL     1      79.248  10.109  28.470  1.00  0.00           H  
HETATM   31  H   UNL     1      77.757   8.385  29.423  1.00  0.00           H  
HETATM   32  H   UNL     1      77.325   6.188  30.076  1.00  0.00           H  
HETATM   33  H   UNL     1      77.027   6.427  27.303  1.00  0.00           H  
HETATM   34  H   UNL     1      78.761   3.613  27.117  1.00  0.00           H  
HETATM   35  H   UNL     1      79.261   4.068  30.331  1.00  0.00           H  
HETATM   36  H   UNL     1      80.027   4.688  33.617  1.00  0.00           H  
HETATM   37  H   UNL     1      80.081   3.536  32.306  1.00  0.00           H  
HETATM   38  H   UNL     1      81.887   5.448  30.110  1.00  0.00           H  
HETATM   39  H   UNL     1      84.338   6.058  30.546  1.00  0.00           H  
HETATM   40  H   UNL     1      85.060   5.887  33.045  1.00  0.00           H  
CONECT    1    2   25                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   26                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6   11   11   28                                       
CONECT    8    6    6    9   29                                       
CONECT    9    8   10   10   30                                       
CONECT   10    9    9   11   31                                       
CONECT   11    7    7   10   12                                       
CONECT   12   11   13   16   32                                       
CONECT   13   12   14   15                                            
CONECT   14   13   33                                                 
CONECT   15   13   34                                                 
CONECT   16   12   17   35                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   36   37                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   38                                       
CONECT   22   21   23   23   39                                       
CONECT   23   22   22   24   40                                       
CONECT   24   20   23                                                 
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
