COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.027   2.422   0.746  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.270   1.026   1.322  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.644   0.984   1.994  1.00  0.00           C  
HETATM    4  S   UNL     1      -7.213  -0.199  -0.015  1.00  0.00           S  
HETATM    5  O   UNL     1      -7.244  -1.517   0.515  1.00  0.00           O  
HETATM    6  O   UNL     1      -8.075   0.183  -1.078  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.691  -0.049  -0.648  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.522  -0.387   0.167  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.293  -0.525  -0.735  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.030  -0.854   0.096  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.952  -0.058  -0.615  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.527   0.804  -1.385  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.938   0.743  -1.321  1.00  0.00           O  
HETATM   14  C   UNL     1       0.503  -0.239  -0.454  1.00  0.00           C  
HETATM   15  C   UNL     1       1.392   0.565  -1.172  1.00  0.00           C  
HETATM   16  C   UNL     1       2.750   0.394  -1.020  1.00  0.00           C  
HETATM   17  C   UNL     1       3.239  -0.577  -0.153  1.00  0.00           C  
HETATM   18  C   UNL     1       2.356  -1.380   0.565  1.00  0.00           C  
HETATM   19  C   UNL     1       0.996  -1.210   0.422  1.00  0.00           C  
HETATM   20  F   UNL     1       2.834  -2.323   1.406  1.00  0.00           F  
HETATM   21  N   UNL     1       4.615  -0.747  -0.002  1.00  0.00           N  
HETATM   22  C   UNL     1       5.261  -1.040  -1.307  1.00  0.00           C  
HETATM   23  C   UNL     1       6.746  -0.675  -1.057  1.00  0.00           C  
HETATM   24  C   UNL     1       6.648   0.573  -0.150  1.00  0.00           C  
HETATM   25  C   UNL     1       5.251   0.494   0.493  1.00  0.00           C  
HETATM   26  N   UNL     1       7.686   0.534   0.883  1.00  0.00           N  
HETATM   27  C   UNL     1       8.914   1.025   0.623  1.00  0.00           C  
HETATM   28  O   UNL     1       9.160   1.499  -0.466  1.00  0.00           O  
HETATM   29  C   UNL     1       9.982   0.985   1.686  1.00  0.00           C  
HETATM   30  H   UNL     1      -6.048   2.451   0.267  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.798   2.651   0.010  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.061   3.158   1.549  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.499   0.797   2.058  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.415   1.213   1.258  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.818  -0.011   2.405  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.678   1.720   2.797  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.573   0.262  -1.559  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.348   0.403   0.898  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.700  -1.329   0.686  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.461  -1.278  -1.505  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.145  -0.515   1.126  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.811  -1.921   0.062  1.00  0.00           H  
HETATM   43  H   UNL     1       1.014   1.319  -1.847  1.00  0.00           H  
HETATM   44  H   UNL     1       3.437   1.016  -1.576  1.00  0.00           H  
HETATM   45  H   UNL     1       0.311  -1.830   0.983  1.00  0.00           H  
HETATM   46  H   UNL     1       5.161  -2.096  -1.557  1.00  0.00           H  
HETATM   47  H   UNL     1       4.839  -0.415  -2.095  1.00  0.00           H  
HETATM   48  H   UNL     1       7.261  -1.487  -0.542  1.00  0.00           H  
HETATM   49  H   UNL     1       7.247  -0.433  -1.994  1.00  0.00           H  
HETATM   50  H   UNL     1       6.741   1.481  -0.745  1.00  0.00           H  
HETATM   51  H   UNL     1       4.657   1.359   0.198  1.00  0.00           H  
HETATM   52  H   UNL     1       5.344   0.456   1.578  1.00  0.00           H  
HETATM   53  H   UNL     1       7.490   0.154   1.754  1.00  0.00           H  
HETATM   54  H   UNL     1      10.168  -0.050   1.975  1.00  0.00           H  
HETATM   55  H   UNL     1      10.900   1.423   1.295  1.00  0.00           H  
HETATM   56  H   UNL     1       9.650   1.551   2.556  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    4    1    3   33                                       
CONECT    3    2   34   35   36                                       
CONECT    4    7    6    6    5                                       
CONECT    4    5    2                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    8    4   37                                            
CONECT    8    9    7   38   39                                       
CONECT    9   10   13    8   40                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   14   12   12                                       
CONECT   12   11   11   13                                            
CONECT   13    9   12                                                 
CONECT   14   19   19   11   15                                       
CONECT   15   14   16   16   43                                       
CONECT   16   17   15   15   44                                       
CONECT   17   18   18   16   21                                       
CONECT   18   19   20   17   17                                       
CONECT   19   14   14   18   45                                       
CONECT   20   18                                                      
CONECT   21   22   17   25                                            
CONECT   22   23   21   46   47                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   25   26   50                                       
CONECT   25   21   24   51   52                                       
CONECT   26   24   27   53                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   54   55   56                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
