COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -15.164   2.506  -1.100  1.00  0.00           O  
HETATM    2  S   UNL     1     -14.397   3.555  -0.523  1.00  0.00           S  
HETATM    3  O   UNL     1     -14.030   4.730  -1.232  1.00  0.00           O  
HETATM    4  O   UNL     1     -15.161   4.017   0.709  1.00  0.00           O  
HETATM    5  C   UNL     1     -12.896   2.822   0.038  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.861   1.458   0.320  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.717   0.862   0.756  1.00  0.00           C  
HETATM    8  S   UNL     1     -11.697  -0.864   1.107  1.00  0.00           S  
HETATM    9  O   UNL     1     -10.647  -1.420   0.327  1.00  0.00           O  
HETATM   10  O   UNL     1     -11.763  -0.987   2.521  1.00  0.00           O  
HETATM   11  O   UNL     1     -12.992  -1.450   0.564  1.00  0.00           O  
HETATM   12  C   UNL     1     -11.786   3.596   0.184  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.587   3.015   0.631  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.421   3.784   0.792  1.00  0.00           C  
HETATM   15  S   UNL     1      -9.446   5.509   0.433  1.00  0.00           S  
HETATM   16  O   UNL     1      -8.953   5.650  -0.892  1.00  0.00           O  
HETATM   17  O   UNL     1     -10.720   5.986   0.844  1.00  0.00           O  
HETATM   18  O   UNL     1      -8.424   6.173   1.345  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.273   3.195   1.227  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.229   1.834   1.517  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.554   1.630   0.924  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.349   1.046   1.371  1.00  0.00           C  
HETATM   23  N   UNL     1      -9.294  -0.317   1.663  1.00  0.00           N  
HETATM   24  C   UNL     1      -8.315  -1.080   1.137  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.443  -0.569   0.462  1.00  0.00           O  
HETATM   26  C   UNL     1      -8.303  -2.538   1.380  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.366  -3.347   0.737  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.224  -3.109   2.260  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.210  -4.470   2.486  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.285  -5.273   1.845  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.277  -6.759   2.097  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.360  -4.713   0.971  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.424  -5.529   0.327  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.198  -5.049   0.038  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.876  -3.939   0.414  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.246  -5.872  -0.738  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.977  -5.378  -1.039  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.612  -7.149  -1.167  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.722  -7.916  -1.891  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.466  -7.423  -2.194  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.090  -6.155  -1.767  1.00  0.00           C  
HETATM   42  N   UNL     1      -0.816  -5.663  -2.072  1.00  0.00           N  
HETATM   43  C   UNL     1      -0.634  -4.344  -2.274  1.00  0.00           C  
HETATM   44  O   UNL     1      -1.560  -3.571  -2.121  1.00  0.00           O  
HETATM   45  N   UNL     1       0.576  -3.880  -2.647  1.00  0.00           N  
HETATM   46  C   UNL     1       0.787  -2.502  -2.776  1.00  0.00           C  
HETATM   47  C   UNL     1       2.033  -1.963  -2.496  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.250  -1.676  -3.190  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.046  -0.315  -3.320  1.00  0.00           C  
HETATM   50  C   UNL     1       1.189   0.233  -3.039  1.00  0.00           C  
HETATM   51  C   UNL     1       2.239  -0.590  -2.627  1.00  0.00           C  
HETATM   52  C   UNL     1       3.565  -0.007  -2.330  1.00  0.00           C  
HETATM   53  O   UNL     1       4.478  -0.725  -1.971  1.00  0.00           O  
HETATM   54  N   UNL     1       3.761   1.320  -2.457  1.00  0.00           N  
HETATM   55  C   UNL     1       5.038   1.860  -2.266  1.00  0.00           C  
HETATM   56  C   UNL     1       5.894   1.300  -1.331  1.00  0.00           C  
HETATM   57  C   UNL     1       5.449   2.954  -3.017  1.00  0.00           C  
HETATM   58  C   UNL     1       4.518   3.557  -4.037  1.00  0.00           C  
HETATM   59  C   UNL     1       6.709   3.491  -2.832  1.00  0.00           C  
HETATM   60  C   UNL     1       7.568   2.945  -1.900  1.00  0.00           C  
HETATM   61  C   UNL     1       7.166   1.842  -1.144  1.00  0.00           C  
HETATM   62  C   UNL     1       8.085   1.250  -0.149  1.00  0.00           C  
HETATM   63  O   UNL     1       7.765   0.243   0.451  1.00  0.00           O  
HETATM   64  N   UNL     1       9.279   1.828   0.093  1.00  0.00           N  
HETATM   65  C   UNL     1      10.106   1.326   1.097  1.00  0.00           C  
HETATM   66  C   UNL     1       9.609   1.106   2.364  1.00  0.00           C  
HETATM   67  C   UNL     1      10.426   0.604   3.372  1.00  0.00           C  
HETATM   68  C   UNL     1      11.736   0.318   3.138  1.00  0.00           C  
HETATM   69  S   UNL     1      12.746  -0.317   4.436  1.00  0.00           S  
HETATM   70  O   UNL     1      12.516  -1.718   4.474  1.00  0.00           O  
HETATM   71  O   UNL     1      14.034   0.255   4.258  1.00  0.00           O  
HETATM   72  O   UNL     1      12.204   0.243   5.743  1.00  0.00           O  
HETATM   73  C   UNL     1      11.460   1.032   0.824  1.00  0.00           C  
HETATM   74  C   UNL     1      12.283   0.527   1.860  1.00  0.00           C  
HETATM   75  C   UNL     1      13.632   0.240   1.590  1.00  0.00           C  
HETATM   76  C   UNL     1      12.005   1.235  -0.453  1.00  0.00           C  
HETATM   77  S   UNL     1      11.001   1.868  -1.755  1.00  0.00           S  
HETATM   78  O   UNL     1       9.874   1.007  -1.848  1.00  0.00           O  
HETATM   79  O   UNL     1      10.893   3.268  -1.533  1.00  0.00           O  
HETATM   80  O   UNL     1      11.781   1.697  -3.050  1.00  0.00           O  
HETATM   81  C   UNL     1      13.315   0.940  -0.681  1.00  0.00           C  
HETATM   82  C   UNL     1      14.129   0.456   0.341  1.00  0.00           C  
HETATM   83  S   UNL     1      15.821   0.095   0.006  1.00  0.00           S  
HETATM   84  O   UNL     1      15.890  -1.352  -0.458  1.00  0.00           O  
HETATM   85  O   UNL     1      16.188   0.893  -1.112  1.00  0.00           O  
HETATM   86  O   UNL     1      16.498   0.149   1.255  1.00  0.00           O  
HETATM   87  H   UNL     1     -16.009   4.438   0.512  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.755   0.865   0.192  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.083  -2.402   0.705  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.826   4.651  -0.044  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.356   7.131   1.228  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.382   3.793   1.348  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.305   1.391   1.859  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.960  -0.716   2.246  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.649  -2.910   0.058  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.948  -2.486   2.764  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.924  -4.910   3.167  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.932  -7.253   1.380  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.262  -7.140   1.985  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.630  -6.957   3.109  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.656  -6.440   0.090  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.687  -4.392  -0.706  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.592  -7.538  -0.932  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.007  -8.903  -2.221  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.773  -8.028  -2.760  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.064  -6.273  -2.137  1.00  0.00           H  
HETATM  107  H   UNL     1       1.299  -4.500  -2.825  1.00  0.00           H  
HETATM  108  H   UNL     1       2.842  -2.604  -2.177  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.219  -2.098  -3.412  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.856   0.323  -3.644  1.00  0.00           H  
HETATM  111  H   UNL     1       1.345   1.296  -3.142  1.00  0.00           H  
HETATM  112  H   UNL     1       3.018   1.901  -2.681  1.00  0.00           H  
HETATM  113  H   UNL     1       5.578   0.447  -0.749  1.00  0.00           H  
HETATM  114  H   UNL     1       3.919   4.336  -3.566  1.00  0.00           H  
HETATM  115  H   UNL     1       5.101   3.990  -4.851  1.00  0.00           H  
HETATM  116  H   UNL     1       3.861   2.783  -4.433  1.00  0.00           H  
HETATM  117  H   UNL     1       7.023   4.342  -3.419  1.00  0.00           H  
HETATM  118  H   UNL     1       8.551   3.367  -1.759  1.00  0.00           H  
HETATM  119  H   UNL     1       9.562   2.594  -0.431  1.00  0.00           H  
HETATM  120  H   UNL     1       8.573   1.326   2.576  1.00  0.00           H  
HETATM  121  H   UNL     1      10.015   0.441   4.357  1.00  0.00           H  
HETATM  122  H   UNL     1      12.691  -0.045   6.527  1.00  0.00           H  
HETATM  123  H   UNL     1      14.271  -0.148   2.369  1.00  0.00           H  
HETATM  124  H   UNL     1      11.315   2.016  -3.835  1.00  0.00           H  
HETATM  125  H   UNL     1      13.733   1.097  -1.665  1.00  0.00           H  
HETATM  126  H   UNL     1      16.784  -1.655  -0.670  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   87                                                 
CONECT    5    2    6    6   12                                       
CONECT    6    5    5    7   88                                       
CONECT    7    6    8   21   21                                       
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   89                                                 
CONECT   12    5   13   13   90                                       
CONECT   13   12   12   14   21                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   91                                                 
CONECT   19   14   14   20   92                                       
CONECT   20   19   22   22   93                                       
CONECT   21    7    7   13   22                                       
CONECT   22   20   20   21   23                                       
CONECT   23   22   24   94                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   27   28                                       
CONECT   27   26   26   32   95                                       
CONECT   28   26   29   29   96                                       
CONECT   29   28   28   30   97                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   98   99  100                                       
CONECT   32   27   30   30   33                                       
CONECT   33   32   34  101                                            
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   37   38                                       
CONECT   37   36   36   41  102                                       
CONECT   38   36   39   39  103                                       
CONECT   39   38   38   40  104                                       
CONECT   40   39   41   41  105                                       
CONECT   41   37   40   40   42                                       
CONECT   42   41   43  106                                            
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46  107                                            
CONECT   46   45   47   47   48                                       
CONECT   47   46   46   51  108                                       
CONECT   48   46   49   49  109                                       
CONECT   49   48   48   50  110                                       
CONECT   50   49   51   51  111                                       
CONECT   51   47   50   50   52                                       
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   55  112                                            
CONECT   55   54   56   56   57                                       
CONECT   56   55   55   61  113                                       
CONECT   57   55   58   59   59                                       
CONECT   58   57  114  115  116                                       
CONECT   59   57   57   60  117                                       
CONECT   60   59   61   61  118                                       
CONECT   61   56   60   60   62                                       
CONECT   62   61   63   63   64                                       
CONECT   63   62   62                                                 
CONECT   64   62   65  119                                            
CONECT   65   64   66   66   73                                       
CONECT   66   65   65   67  120                                       
CONECT   67   66   68   68  121                                       
CONECT   68   67   67   69   74                                       
CONECT   69   68   70   70   71                                       
CONECT   69   71   72                                                 
CONECT   70   69   69                                                 
CONECT   71   69   69                                                 
CONECT   72   69  122                                                 
CONECT   73   65   74   74   76                                       
CONECT   74   68   73   73   75                                       
CONECT   75   74   82   82  123                                       
CONECT   76   73   77   81   81                                       
CONECT   77   76   78   78   79                                       
CONECT   77   79   80                                                 
CONECT   78   77   77                                                 
CONECT   79   77   77                                                 
CONECT   80   77  124                                                 
CONECT   81   76   76   82  125                                       
CONECT   82   75   75   81   83                                       
CONECT   83   82   84   85   85                                       
CONECT   83   86   86                                                 
CONECT   84   83  126                                                 
CONECT   85   83   83                                                 
CONECT   86   83   83                                                 
CONECT   87    4                                                      
CONECT   88    6                                                      
CONECT   89   11                                                      
CONECT   90   12                                                      
CONECT   91   18                                                      
CONECT   92   19                                                      
CONECT   93   20                                                      
CONECT   94   23                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   31                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   33                                                      
CONECT  102   37                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   42                                                      
CONECT  107   45                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   54                                                      
CONECT  113   56                                                      
CONECT  114   58                                                      
CONECT  115   58                                                      
CONECT  116   58                                                      
CONECT  117   59                                                      
CONECT  118   60                                                      
CONECT  119   64                                                      
CONECT  120   66                                                      
CONECT  121   67                                                      
CONECT  122   72                                                      
CONECT  123   75                                                      
CONECT  124   80                                                      
CONECT  125   81                                                      
CONECT  126   84                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
