COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.519   5.786   0.004  1.00  0.00           O  
HETATM    2  C   UNL     1       8.682   5.458   0.004  1.00  0.00           C  
HETATM    3  O   UNL     1       9.643   6.395   0.011  1.00  0.00           O  
HETATM    4  C   UNL     1       9.053   3.997   0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       7.780   3.148   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       8.151   1.687   0.002  1.00  0.00           C  
HETATM    7  O   UNL     1       9.320   1.358   0.002  1.00  0.00           O  
HETATM    8  C   UNL     1       7.137   0.699   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       5.415   1.036  -0.001  1.00  0.00           S  
HETATM   10  C   UNL     1       7.360  -0.625  -0.006  1.00  0.00           C  
HETATM   11  C   UNL     1       6.214  -1.430  -0.006  1.00  0.00           C  
HETATM   12  C   UNL     1       5.029  -0.682  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1       3.792  -1.333  -0.001  1.00  0.00           C  
HETATM   14  C   UNL     1       6.125  -2.845  -0.007  1.00  0.00           C  
HETATM   15  C   UNL     1       4.912  -3.462  -0.004  1.00  0.00           C  
HETATM   16  O   UNL     1       4.846  -4.821  -0.008  1.00  0.00           O  
HETATM   17  C   UNL     1       6.086  -5.531  -0.007  1.00  0.00           C  
HETATM   18  C   UNL     1       3.732  -2.710  -0.005  1.00  0.00           C  
HETATM   19  O   UNL     1       2.527  -3.338  -0.002  1.00  0.00           O  
HETATM   20  C   UNL     1       1.364  -2.508  -0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       0.111  -3.386   0.001  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.135  -2.498   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.305  -3.318   0.003  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.507  -2.680   0.003  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.689  -3.428   0.006  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.634  -4.786   0.009  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.880  -5.485   0.011  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.910  -2.788   0.006  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.973  -1.391   0.003  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.792  -0.637   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.548  -1.320   0.006  1.00  0.00           C  
HETATM   32  S   UNL     1      -7.363  -0.311   0.003  1.00  0.00           S  
HETATM   33  C   UNL     1      -6.326   1.104  -0.001  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.033   0.743  -0.002  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.789   2.442  -0.004  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.993   3.360  -0.007  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.268   2.728  -0.002  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.496   4.241  -0.005  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.975   4.527  -0.004  1.00  0.00           C  
HETATM   40  O   UNL     1     -10.767   3.614  -0.001  1.00  0.00           O  
HETATM   41  O   UNL     1     -10.414   5.795  -0.006  1.00  0.00           O  
HETATM   42  H   UNL     1       9.356   7.318   0.015  1.00  0.00           H  
HETATM   43  H   UNL     1       9.641   3.772  -0.887  1.00  0.00           H  
HETATM   44  H   UNL     1       9.640   3.771   0.893  1.00  0.00           H  
HETATM   45  H   UNL     1       7.193   3.373   0.892  1.00  0.00           H  
HETATM   46  H   UNL     1       7.193   3.374  -0.888  1.00  0.00           H  
HETATM   47  H   UNL     1       8.357  -1.041  -0.010  1.00  0.00           H  
HETATM   48  H   UNL     1       2.879  -0.755   0.002  1.00  0.00           H  
HETATM   49  H   UNL     1       7.028  -3.439  -0.010  1.00  0.00           H  
HETATM   50  H   UNL     1       6.655  -5.268   0.884  1.00  0.00           H  
HETATM   51  H   UNL     1       5.891  -6.603  -0.010  1.00  0.00           H  
HETATM   52  H   UNL     1       6.658  -5.263  -0.896  1.00  0.00           H  
HETATM   53  H   UNL     1       1.367  -1.877   0.886  1.00  0.00           H  
HETATM   54  H   UNL     1       1.365  -1.880  -0.894  1.00  0.00           H  
HETATM   55  H   UNL     1       0.107  -4.017  -0.888  1.00  0.00           H  
HETATM   56  H   UNL     1       0.109  -4.014   0.892  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.131  -1.867   0.889  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.133  -1.870  -0.891  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.694  -6.559   0.013  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.448  -5.214   0.901  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.450  -5.217  -0.879  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.821  -3.368   0.009  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.628  -0.756   0.008  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.232   1.467  -0.005  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.724   2.290  -0.891  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.721   2.295   0.890  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.040   4.679   0.883  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.043   4.675  -0.897  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.372   5.929  -0.005  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   42                                                 
CONECT    4    2    5   43   44                                       
CONECT    5    6    4   45   46                                       
CONECT    6    8    7    7    5                                       
CONECT    7    6    6                                                 
CONECT    8   10   10    9    6                                       
CONECT    9   12    8                                                 
CONECT   10   11    8    8   47                                       
CONECT   11   14   14   12   10                                       
CONECT   12   13   13   11    9                                       
CONECT   13   18   12   12   48                                       
CONECT   14   15   11   11   49                                       
CONECT   15   16   18   18   14                                       
CONECT   16   17   15                                                 
CONECT   17   16   50   51   52                                       
CONECT   18   19   15   15   13                                       
CONECT   19   20   18                                                 
CONECT   20   21   19   53   54                                       
CONECT   21   22   20   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   22   24                                                 
CONECT   24   23   31   31   25                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27                                                 
CONECT   27   26   59   60   61                                       
CONECT   28   25   25   29   62                                       
CONECT   29   30   30   28   32                                       
CONECT   30   31   34   29   29                                       
CONECT   31   24   24   30   63                                       
CONECT   32   33   29                                                 
CONECT   33   34   34   35   32                                       
CONECT   34   30   33   33   64                                       
CONECT   35   37   33   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   38   35   65   66                                       
CONECT   38   37   39   67   68                                       
CONECT   39   40   40   38   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   69                                                 
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   31                                                      
CONECT   64   34                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   41                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
