COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.227  -0.318  -9.771  1.00  0.00           C  
HETATM    2  S   UNL     1      -0.652  -0.878 -10.474  1.00  0.00           S  
HETATM    3  C   UNL     1      -2.124   1.163  -9.406  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.855   1.929 -10.582  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.983   1.352  -8.400  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.968   2.703  -7.934  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.210   0.403  -7.217  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.083   0.453  -6.340  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.384  -1.022  -7.746  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.522  -1.084  -8.604  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.581  -1.981  -6.570  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.670  -3.321  -7.059  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.293   1.561  -5.462  1.00  0.00           C  
HETATM   14  C   UNL     1       1.015   1.895  -4.743  1.00  0.00           C  
HETATM   15  O   UNL     1       2.010   2.259  -5.703  1.00  0.00           O  
HETATM   16  C   UNL     1       1.485   0.663  -3.961  1.00  0.00           C  
HETATM   17  O   UNL     1       2.623   1.001  -3.166  1.00  0.00           O  
HETATM   18  C   UNL     1       0.342   0.196  -3.052  1.00  0.00           C  
HETATM   19  S   UNL     1       0.802  -1.368  -2.257  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.916  -0.009  -3.896  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.296   1.223  -4.506  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.054  -0.506  -3.002  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.228  -0.706  -3.792  1.00  0.00           O  
HETATM   24  C   UNL     1       1.919  -0.750  -0.968  1.00  0.00           C  
HETATM   25  C   UNL     1       2.537  -1.934  -0.220  1.00  0.00           C  
HETATM   26  C   UNL     1       3.503  -1.402   0.844  1.00  0.00           C  
HETATM   27  C   UNL     1       2.757  -0.392   1.723  1.00  0.00           C  
HETATM   28  C   UNL     1       2.122   0.675   0.830  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215   1.371   0.017  1.00  0.00           C  
HETATM   30  O   UNL     1       1.505  -2.696   0.408  1.00  0.00           O  
HETATM   31  O   UNL     1       4.612  -0.760   0.212  1.00  0.00           O  
HETATM   32  O   UNL     1       1.736  -1.066   2.463  1.00  0.00           O  
HETATM   33  O   UNL     1       1.185   0.065  -0.057  1.00  0.00           O  
HETATM   34  O   UNL     1       4.184   1.934   0.904  1.00  0.00           O  
HETATM   35  C   UNL     1       2.327  -1.485   3.694  1.00  0.00           C  
HETATM   36  C   UNL     1       1.280  -2.217   4.538  1.00  0.00           C  
HETATM   37  O   UNL     1       0.823  -3.375   3.836  1.00  0.00           O  
HETATM   38  C   UNL     1       0.099  -1.274   4.796  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.817  -1.887   5.705  1.00  0.00           O  
HETATM   40  C   UNL     1       0.634   0.026   5.404  1.00  0.00           C  
HETATM   41  S   UNL     1      -0.714   1.231   5.545  1.00  0.00           S  
HETATM   42  C   UNL     1       1.731   0.589   4.498  1.00  0.00           C  
HETATM   43  O   UNL     1       2.806  -0.343   4.402  1.00  0.00           O  
HETATM   44  C   UNL     1       2.250   1.904   5.081  1.00  0.00           C  
HETATM   45  O   UNL     1       3.268   2.434   4.230  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.567   0.579   7.007  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.810   1.427   7.289  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.542   0.850   8.506  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.550   0.741   9.667  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.327  -0.054   9.207  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.769  -1.443   8.742  1.00  0.00           C  
HETATM   52  O   UNL     1      -2.419   2.774   7.558  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.057  -0.443   8.186  1.00  0.00           O  
HETATM   54  O   UNL     1      -2.146   2.049  10.075  1.00  0.00           O  
HETATM   55  O   UNL     1      -0.687   0.625   8.129  1.00  0.00           O  
HETATM   56  O   UNL     1      -2.429  -2.117   9.815  1.00  0.00           O  
HETATM   57  H   UNL     1      -3.021  -0.456 -10.505  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.949  -2.167 -10.719  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.061   1.496  -8.961  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.595   1.782 -11.187  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.031   1.119  -8.878  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.822   3.263  -8.709  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.108   0.703  -6.676  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.494  -1.311  -8.304  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.735  -1.898  -5.888  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.500  -1.726  -6.043  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.793  -3.892  -6.288  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.620   2.425  -6.040  1.00  0.00           H  
HETATM   69  H   UNL     1       0.852   2.724  -4.055  1.00  0.00           H  
HETATM   70  H   UNL     1       1.675   3.036  -6.171  1.00  0.00           H  
HETATM   71  H   UNL     1       1.748  -0.132  -4.657  1.00  0.00           H  
HETATM   72  H   UNL     1       3.315   1.290  -3.776  1.00  0.00           H  
HETATM   73  H   UNL     1       0.151   0.950  -2.289  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.714  -0.749  -4.671  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.765  -1.448  -2.536  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.259   0.234  -2.229  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.919  -1.018  -3.192  1.00  0.00           H  
HETATM   78  H   UNL     1       2.710  -0.158  -1.427  1.00  0.00           H  
HETATM   79  H   UNL     1       3.080  -2.565  -0.923  1.00  0.00           H  
HETATM   80  H   UNL     1       3.861  -2.228   1.458  1.00  0.00           H  
HETATM   81  H   UNL     1       3.457   0.077   2.413  1.00  0.00           H  
HETATM   82  H   UNL     1       1.609   1.410   1.450  1.00  0.00           H  
HETATM   83  H   UNL     1       3.699   0.645  -0.636  1.00  0.00           H  
HETATM   84  H   UNL     1       2.771   2.163  -0.585  1.00  0.00           H  
HETATM   85  H   UNL     1       0.921  -3.010  -0.295  1.00  0.00           H  
HETATM   86  H   UNL     1       5.052  -1.429  -0.329  1.00  0.00           H  
HETATM   87  H   UNL     1       4.853   2.362   0.352  1.00  0.00           H  
HETATM   88  H   UNL     1       3.159  -2.158   3.486  1.00  0.00           H  
HETATM   89  H   UNL     1       1.722  -2.517   5.488  1.00  0.00           H  
HETATM   90  H   UNL     1       1.595  -3.939   3.695  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.407  -1.057   3.856  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.128  -2.699   5.282  1.00  0.00           H  
HETATM   93  H   UNL     1       1.047  -0.175   6.393  1.00  0.00           H  
HETATM   94  H   UNL     1       1.320   0.770   3.505  1.00  0.00           H  
HETATM   95  H   UNL     1       1.430   2.618   5.154  1.00  0.00           H  
HETATM   96  H   UNL     1       2.664   1.724   6.073  1.00  0.00           H  
HETATM   97  H   UNL     1       3.567   3.261   4.633  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.866  -0.451   6.823  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.470   1.405   6.422  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.363   1.511   8.786  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.023   0.228  10.504  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.627  -0.156  10.037  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.896  -2.018   8.434  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.453  -1.343   7.899  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.957   3.094   6.771  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.665  -0.327   7.444  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.947   2.516  10.351  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.691  -2.986   9.480  1.00  0.00           H  
CONECT    1    2    3   10   57                                       
CONECT    2    1   58                                                 
CONECT    3    1    4    5   59                                       
CONECT    4    3   60                                                 
CONECT    5    3    6    7   61                                       
CONECT    6    5   62                                                 
CONECT    7    5    8    9   63                                       
CONECT    8    7   13                                                 
CONECT    9    7   10   11   64                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   65   66                                       
CONECT   12   11   67                                                 
CONECT   13    8   14   21   68                                       
CONECT   14   13   15   16   69                                       
CONECT   15   14   70                                                 
CONECT   16   14   17   18   71                                       
CONECT   17   16   72                                                 
CONECT   18   16   20   19   73                                       
CONECT   19   18   24                                                 
CONECT   20   18   21   22   74                                       
CONECT   21   13   20                                                 
CONECT   22   20   23   75   76                                       
CONECT   23   22   77                                                 
CONECT   24   19   25   33   78                                       
CONECT   25   24   30   26   79                                       
CONECT   26   25   31   27   80                                       
CONECT   27   26   32   28   81                                       
CONECT   28   27   33   29   82                                       
CONECT   29   28   34   83   84                                       
CONECT   30   25   85                                                 
CONECT   31   26   86                                                 
CONECT   32   27   35                                                 
CONECT   33   24   28                                                 
CONECT   34   29   87                                                 
CONECT   35   32   36   43   88                                       
CONECT   36   35   37   38   89                                       
CONECT   37   36   90                                                 
CONECT   38   36   39   40   91                                       
CONECT   39   38   92                                                 
CONECT   40   38   42   41   93                                       
CONECT   41   40   46                                                 
CONECT   42   40   43   44   94                                       
CONECT   43   35   42                                                 
CONECT   44   42   45   95   96                                       
CONECT   45   44   97                                                 
CONECT   46   41   47   55   98                                       
CONECT   47   46   52   48   99                                       
CONECT   48   47   53   49  100                                       
CONECT   49   48   54   50  101                                       
CONECT   50   49   55   51  102                                       
CONECT   51   50   56  103  104                                       
CONECT   52   47  105                                                 
CONECT   53   48  106                                                 
CONECT   54   49  107                                                 
CONECT   55   46   50                                                 
CONECT   56   51  108                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    9                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   20                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   42                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   56                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
