COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.696   0.221   0.979  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.797   1.041   1.107  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.694   1.169   0.060  1.00  0.00           C  
HETATM    4  I   UNL     1      -6.364   2.418   0.266  1.00  0.00           I  
HETATM    5  C   UNL     1      -4.494   0.477  -1.123  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.398  -0.347  -1.266  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.486  -0.482  -0.213  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.312  -1.353  -0.359  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.421  -2.533  -1.023  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.737  -2.999  -1.482  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.053  -2.872  -2.650  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.594  -3.566  -0.610  1.00  0.00           O  
HETATM   13  S   UNL     1       0.016  -3.504  -1.333  1.00  0.00           S  
HETATM   14  S   UNL     1       1.536  -2.312  -0.647  1.00  0.00           S  
HETATM   15  C   UNL     1       1.590  -2.689   1.073  1.00  0.00           C  
HETATM   16  C   UNL     1       0.770  -3.783   1.612  1.00  0.00           C  
HETATM   17  O   UNL     1       0.811  -4.072   2.929  1.00  0.00           O  
HETATM   18  O   UNL     1       0.053  -4.428   0.871  1.00  0.00           O  
HETATM   19  C   UNL     1       2.390  -1.970   1.901  1.00  0.00           C  
HETATM   20  C   UNL     1       3.321  -0.978   1.344  1.00  0.00           C  
HETATM   21  C   UNL     1       3.409   0.299   1.909  1.00  0.00           C  
HETATM   22  C   UNL     1       4.289   1.222   1.385  1.00  0.00           C  
HETATM   23  C   UNL     1       5.085   0.887   0.302  1.00  0.00           C  
HETATM   24  I   UNL     1       6.419   2.297  -0.486  1.00  0.00           I  
HETATM   25  C   UNL     1       5.004  -0.375  -0.263  1.00  0.00           C  
HETATM   26  C   UNL     1       4.129  -1.309   0.250  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.995   0.125   1.795  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.961   1.583   2.026  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.198   0.582  -1.935  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.243  -0.886  -2.189  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.363  -1.056   0.061  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.416  -3.925  -0.972  1.00  0.00           H  
HETATM   33  H   UNL     1       0.254  -4.800   3.237  1.00  0.00           H  
HETATM   34  H   UNL     1       2.342  -2.125   2.969  1.00  0.00           H  
HETATM   35  H   UNL     1       2.789   0.562   2.753  1.00  0.00           H  
HETATM   36  H   UNL     1       4.358   2.208   1.819  1.00  0.00           H  
HETATM   37  H   UNL     1       5.628  -0.628  -1.107  1.00  0.00           H  
HETATM   38  H   UNL     1       4.070  -2.294  -0.189  1.00  0.00           H  
CONECT    1    2    2    7   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3                                                      
CONECT    5    3    3    6   29                                       
CONECT    6    7    7    5   30                                       
CONECT    7    1    8    6    6                                       
CONECT    8    9    9    7   31                                       
CONECT    9   10   13    8    8                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   10   32                                                 
CONECT   13   14    9                                                 
CONECT   14   15   13                                                 
CONECT   15   19   19   16   14                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16   33                                                 
CONECT   18   16   16                                                 
CONECT   19   20   15   15   34                                       
CONECT   20   21   21   26   19                                       
CONECT   21   22   20   20   35                                       
CONECT   22   23   23   21   36                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23                                                      
CONECT   25   23   26   26   37                                       
CONECT   26   25   25   20   38                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   17                                                      
CONECT   34   19                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   25                                                      
CONECT   38   26                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
