COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.487  -2.155   1.963  1.00  0.00           O  
HETATM    2  S   UNL     1      -9.876  -2.564   1.783  1.00  0.00           S  
HETATM    3  O   UNL     1     -10.113  -2.517   0.335  1.00  0.00           O  
HETATM    4  O   UNL     1     -10.799  -1.688   2.473  1.00  0.00           O  
HETATM    5  C   UNL     1     -10.296  -4.190   2.407  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.858  -4.553   3.673  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.171  -5.786   4.216  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.524  -6.090   5.607  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.980  -6.657   3.410  1.00  0.00           C  
HETATM   10  O   UNL     1     -11.357  -7.894   3.950  1.00  0.00           O1+
HETATM   11  C   UNL     1     -12.643  -7.819   4.625  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.590  -8.950   5.594  1.00  0.00           C  
HETATM   13  O   UNL     1     -13.523  -9.144   6.407  1.00  0.00           O  
HETATM   14  O   UNL     1     -11.546  -9.633   5.509  1.00  0.00           O  
HETATM   15 NA   UNL     1      -9.856  -9.660   3.554  1.00  0.00          Na  
HETATM   16  O   UNL     1      -9.026 -11.212   5.063  1.00  0.00           O1+
HETATM   17  C   UNL     1      -8.630 -10.861   6.210  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.612 -11.703   7.181  1.00  0.00           O  
HETATM   19 AS   UNL     1      -8.732 -13.666   6.948  1.00  0.00          As1-
HETATM   20  C   UNL     1     -10.097 -14.095   5.601  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.023 -14.452   6.382  1.00  0.00           C  
HETATM   22  O   UNL     1      -9.119 -14.464   8.456  1.00  0.00           O  
HETATM   23  C   UNL     1      -8.171  -9.381   6.353  1.00  0.00           C  
HETATM   24  O   UNL     1     -11.280 -11.427   3.062  1.00  0.00           O  
HETATM   25  C   UNL     1     -11.771 -11.583   1.916  1.00  0.00           C  
HETATM   26  O   UNL     1     -12.504 -12.578   1.620  1.00  0.00           O  
HETATM   27  C   UNL     1     -11.498 -10.536   0.851  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.938 -10.642   2.674  1.00  0.00           O1+
HETATM   29  C   UNL     1      -7.714 -12.070   2.830  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.420 -12.718   2.382  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.492 -13.911   1.945  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.356 -12.054   2.502  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.999  -9.869   1.930  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.912  -9.279   2.617  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.706  -9.282   4.158  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.376  -8.708   5.065  1.00  0.00           O1+
HETATM   37  C   UNL     1      -7.548  -7.614   4.892  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.200  -7.869   4.577  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.308  -6.772   4.558  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.011  -6.351   5.268  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.063  -5.304   5.231  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.711  -5.461   4.881  1.00  0.00           C  
HETATM   43  S   UNL     1      -4.498  -4.078   4.876  1.00  0.00           S  
HETATM   44  O   UNL     1      -3.770  -3.982   3.603  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.211  -2.900   5.316  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.450  -4.244   5.873  1.00  0.00           O  
HETATM   47  C   UNL     1     -11.100  -5.064   1.639  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.490  -6.323   2.107  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.331  -7.246   1.141  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.268  -7.681   0.078  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.330  -8.723   0.324  1.00  0.00           C  
HETATM   52  O   UNL     1     -10.685  -9.470   1.413  1.00  0.00           O1+
HETATM   53  C   UNL     1     -11.079  -6.987  -1.128  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.055  -7.377  -2.018  1.00  0.00           C  
HETATM   55  S   UNL     1      -9.828  -6.505  -3.544  1.00  0.00           S  
HETATM   56  O   UNL     1      -8.430  -6.606  -3.955  1.00  0.00           O  
HETATM   57  O   UNL     1     -10.663  -7.063  -4.558  1.00  0.00           O  
HETATM   58  O   UNL     1     -10.122  -5.109  -3.245  1.00  0.00           O  
HETATM   59  C   UNL     1      -9.191  -8.439  -1.742  1.00  0.00           C  
HETATM   60  C   UNL     1      -9.310  -9.183  -0.579  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.298 -10.350  -0.323  1.00  0.00           C  
HETATM   62  C   UNL     1      -7.113  -9.778   0.500  1.00  0.00           C  
HETATM   63  C   UNL     1      -6.129  -9.060  -0.203  1.00  0.00           C  
HETATM   64  C   UNL     1      -5.056  -8.444   0.453  1.00  0.00           C  
HETATM   65  C   UNL     1      -4.975  -8.580   1.841  1.00  0.00           C  
HETATM   66  S   UNL     1      -3.774  -7.552  -0.431  1.00  0.00           S  
HETATM   67  O   UNL     1      -3.699  -6.157  -0.076  1.00  0.00           O  
HETATM   68  O   UNL     1      -2.481  -8.155  -0.197  1.00  0.00           O  
HETATM   69  O   UNL     1      -3.971  -7.663  -1.878  1.00  0.00           O  
HETATM   70  H   UNL     1      -9.261  -3.859   4.246  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.631  -5.231   6.285  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.982  -6.979   6.066  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.758  -6.858   5.148  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.470  -7.950   3.912  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.567 -10.326   6.158  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.159 -15.186   5.476  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.072 -13.708   5.931  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.824 -13.631   4.642  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.140 -15.540   6.266  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.717 -14.012   5.421  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.255 -14.244   7.141  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.170 -15.402   8.314  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.765  -8.881   7.132  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.106  -9.347   6.625  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.962 -11.000   0.010  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.451 -10.120   0.494  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.814 -12.285   3.904  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.521 -12.574   2.278  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.619 -12.581   2.216  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.307 -10.069   4.636  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.646  -9.423   4.415  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.278  -6.946   4.285  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.402  -4.312   5.490  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.424  -4.749   0.658  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.737  -8.117   1.677  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.155  -6.686   0.674  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.719  -6.153  -1.375  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.414  -8.686  -2.450  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.791 -11.156   0.241  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.931 -10.745  -1.282  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.203  -8.982  -1.278  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.140  -8.119   2.348  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.367  -1.264   1.840  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.518  -3.554   6.522  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.343  -4.584  -3.384  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.218  -8.090  -2.269  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2  103                                                 
CONECT    5    2    6    6   47                                       
CONECT    6    5    5    7   70                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   40   71   72                                       
CONECT    9    7    7   10   48                                       
CONECT   10    9   11   15                                            
CONECT   11   10   12   73   74                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   75                                                 
CONECT   15   10   16   24   28                                       
CONECT   15   36   52                                                 
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   23                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   22                                       
CONECT   20   19   76   77   78                                       
CONECT   21   19   79   80   81                                       
CONECT   22   19   82                                                 
CONECT   23   17   36   83   84                                       
CONECT   24   15   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   52   85   86                                       
CONECT   28   15   29   33                                            
CONECT   29   28   30   87   88                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   89                                                 
CONECT   33   28   34   34   62                                       
CONECT   34   33   33   35   65                                       
CONECT   35   34   38   90   91                                       
CONECT   36   15   23   37                                            
CONECT   37   36   38   38   40                                       
CONECT   38   35   37   37   39                                       
CONECT   39   38   42   42   92                                       
CONECT   40    8   37   41   41                                       
CONECT   41   40   40   42   93                                       
CONECT   42   39   39   41   43                                       
CONECT   43   42   44   44   45                                       
CONECT   43   45   46                                                 
CONECT   44   43   43                                                 
CONECT   45   43   43                                                 
CONECT   46   43  104                                                 
CONECT   47    5   48   48   94                                       
CONECT   48    9   47   47   49                                       
CONECT   49   48   50   95   96                                       
CONECT   50   49   51   51   53                                       
CONECT   51   50   50   52   60                                       
CONECT   52   15   27   51                                            
CONECT   53   50   54   54   97                                       
CONECT   54   53   53   55   59                                       
CONECT   55   54   56   56   57                                       
CONECT   55   57   58                                                 
CONECT   56   55   55                                                 
CONECT   57   55   55                                                 
CONECT   58   55  105                                                 
CONECT   59   54   60   60   98                                       
CONECT   60   51   59   59   61                                       
CONECT   61   60   62   99  100                                       
CONECT   62   33   61   63   63                                       
CONECT   63   62   62   64  101                                       
CONECT   64   63   65   65   66                                       
CONECT   65   34   64   64  102                                       
CONECT   66   64   67   67   68                                       
CONECT   66   68   69                                                 
CONECT   67   66   66                                                 
CONECT   68   66   66                                                 
CONECT   69   66  106                                                 
CONECT   70    6                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73   11                                                      
CONECT   74   11                                                      
CONECT   75   14                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   32                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   39                                                      
CONECT   93   41                                                      
CONECT   94   47                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   53                                                      
CONECT   98   59                                                      
CONECT   99   61                                                      
CONECT  100   61                                                      
CONECT  101   63                                                      
CONECT  102   65                                                      
CONECT  103    4                                                      
CONECT  104   46                                                      
CONECT  105   58                                                      
CONECT  106   69                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
