COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.769   0.008  -6.433  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.143  -0.001  -5.205  1.00  0.00           C  
HETATM    3  C   UNL     1       0.709   0.007  -3.935  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.202  -0.002  -2.707  1.00  0.00           C  
HETATM    5  C   UNL     1       0.650   0.007  -1.437  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.262  -0.002  -0.209  1.00  0.00           C  
HETATM    7  C   UNL     1       0.591   0.006   1.060  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.321  -0.003   2.288  1.00  0.00           C  
HETATM    9  C   UNL     1       0.532   0.005   3.558  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.380  -0.004   4.786  1.00  0.00           C  
HETATM   11  C   UNL     1       0.473   0.005   6.055  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.439  -0.004   7.283  1.00  0.00           C  
HETATM   13  C   UNL     1       0.413   0.004   8.553  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.498  -0.005   9.781  1.00  0.00           C  
HETATM   15  C   UNL     1       0.354   0.003  11.051  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.557  -0.006  12.279  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.242  -0.002  -7.938  1.00  0.00           S  
HETATM   18  O   UNL     1      -0.891  -1.253  -8.124  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.918   1.233  -8.124  1.00  0.00           O  
HETATM   20  O   UNL     1       0.793   0.008  -9.053  1.00  0.00           O  
HETATM   21  H   UNL     1       1.388   0.905  -6.418  1.00  0.00           H  
HETATM   22  H   UNL     1       1.407  -0.874  -6.418  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.763  -0.898  -5.220  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.782   0.881  -5.220  1.00  0.00           H  
HETATM   25  H   UNL     1       1.329   0.904  -3.920  1.00  0.00           H  
HETATM   26  H   UNL     1       1.348  -0.875  -3.920  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.822  -0.899  -2.722  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.841   0.880  -2.722  1.00  0.00           H  
HETATM   29  H   UNL     1       1.270   0.903  -1.422  1.00  0.00           H  
HETATM   30  H   UNL     1       1.289  -0.876  -1.422  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.881  -0.899  -0.224  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.900   0.880  -0.224  1.00  0.00           H  
HETATM   33  H   UNL     1       1.210   0.903   1.075  1.00  0.00           H  
HETATM   34  H   UNL     1       1.230  -0.876   1.075  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.940  -0.900   2.273  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.959   0.879   2.273  1.00  0.00           H  
HETATM   37  H   UNL     1       1.151   0.902   3.573  1.00  0.00           H  
HETATM   38  H   UNL     1       1.171  -0.877   3.573  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.999  -0.900   4.771  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.019   0.878   4.771  1.00  0.00           H  
HETATM   41  H   UNL     1       1.092   0.901   6.070  1.00  0.00           H  
HETATM   42  H   UNL     1       1.111  -0.877   6.070  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.059  -0.901   7.268  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.078   0.878   7.268  1.00  0.00           H  
HETATM   45  H   UNL     1       1.033   0.901   8.568  1.00  0.00           H  
HETATM   46  H   UNL     1       1.052  -0.878   8.568  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.118  -0.902   9.766  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.137   0.877   9.766  1.00  0.00           H  
HETATM   49  H   UNL     1       0.974   0.900  11.066  1.00  0.00           H  
HETATM   50  H   UNL     1       0.993  -0.879  11.066  1.00  0.00           H  
HETATM   51  H   UNL     1       0.050   0.000  13.184  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.196   0.877  12.264  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.177  -0.902  12.264  1.00  0.00           H  
HETATM   54  H   UNL     1       0.306   0.003  -9.888  1.00  0.00           H  
CONECT    1    2   17   21   22                                       
CONECT    2    1    3   23   24                                       
CONECT    3    2    4   25   26                                       
CONECT    4    3    5   27   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9   11   39   40                                       
CONECT   11   10   12   41   42                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   14   45   46                                       
CONECT   14   13   15   47   48                                       
CONECT   15   14   16   49   50                                       
CONECT   16   15   51   52   53                                       
CONECT   17    1   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   54                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   20                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
