COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      10.764  -1.520   0.448  1.00  0.00           C  
HETATM    2  C   UNL     1      11.804  -2.076   1.423  1.00  0.00           C  
HETATM    3  S   UNL     1      11.582  -1.040  -1.099  1.00  0.00           S  
HETATM    4  C   UNL     1      12.393  -3.370   0.858  1.00  0.00           C  
HETATM    5  O   UNL     1      13.609  -5.639   0.224  1.00  0.00           O  
HETATM    6  C   UNL     1      13.340  -3.991   1.887  1.00  0.00           C  
HETATM    7  O   UNL     1      14.783  -5.986   2.064  1.00  0.00           O  
HETATM    8  C   UNL     1      13.920  -5.266   1.331  1.00  0.00           C  
HETATM    9  C   UNL     1      11.262  -4.352   0.547  1.00  0.00           C  
HETATM   10  O   UNL     1      13.116  -3.081  -0.340  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.168  -2.502  -0.657  1.00  0.00           C  
HETATM   12  C   UNL     1       1.222   6.198  -2.573  1.00  0.00           C  
HETATM   13  O   UNL     1       0.697   7.502  -2.316  1.00  0.00           O  
HETATM   14  C   UNL     1       0.116   5.157  -2.385  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.391   5.205  -0.942  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.039   5.462  -3.342  1.00  0.00           C  
HETATM   17  C   UNL     1       0.671   3.763  -2.685  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.269  -7.134  -3.006  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.608   2.704   2.587  1.00  0.00           O  
HETATM   20  P   UNL     1      -3.981   1.839   1.562  1.00  0.00           P  
HETATM   21  S   UNL     1       9.960  -0.070   1.183  1.00  0.00           S  
HETATM   22  C   UNL     1      -7.938  -2.724   0.670  1.00  0.00           C  
HETATM   23  O   UNL     1      -9.210  -3.326   0.428  1.00  0.00           O  
HETATM   24  C   UNL     1      -8.247  -6.256  -2.870  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.951   0.826   2.273  1.00  0.00           O  
HETATM   26  P   UNL     1      -2.186   4.007   0.632  1.00  0.00           P  
HETATM   27  C   UNL     1       8.679   0.345  -0.033  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.102  -1.276   1.195  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.394  -0.767   0.860  1.00  0.00           O  
HETATM   30  P   UNL     1     -10.447  -0.253   1.965  1.00  0.00           P  
HETATM   31  N   UNL     1      -8.083  -5.109  -2.245  1.00  0.00           N  
HETATM   32  O   UNL     1      -3.188   2.753   0.501  1.00  0.00           O  
HETATM   33  C   UNL     1       7.897   1.570   0.449  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.003  -0.482   0.463  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.270  -1.415  -0.348  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.907  -4.786  -1.717  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.027   5.328   1.005  1.00  0.00           O  
HETATM   38  N   UNL     1       6.862   1.905  -0.533  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.066   0.170   1.482  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.122   0.998   0.800  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.835  -5.687  -1.835  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.194   3.736   1.696  1.00  0.00           O  
HETATM   43  C   UNL     1       6.046   2.956  -0.319  1.00  0.00           C  
HETATM   44  O   UNL     1       6.167   3.623   0.687  1.00  0.00           O  
HETATM   45  C   UNL     1      -6.059  -6.898  -2.511  1.00  0.00           C  
HETATM   46  N   UNL     1      -5.041  -7.825  -2.659  1.00  0.00           N  
HETATM   47  O   UNL     1      -1.423   4.233  -0.767  1.00  0.00           O  
HETATM   48  C   UNL     1       4.981   3.301  -1.328  1.00  0.00           C  
HETATM   49  N   UNL     1      -4.769  -5.121  -1.221  1.00  0.00           N  
HETATM   50  O   UNL     1     -10.682  -1.324   2.959  1.00  0.00           O  
HETATM   51  C   UNL     1       4.200   4.525  -0.847  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.109  -3.958  -0.745  1.00  0.00           C  
HETATM   53  O   UNL     1      -9.855   1.048   2.706  1.00  0.00           O  
HETATM   54  N   UNL     1       3.165   4.861  -1.828  1.00  0.00           N  
HETATM   55  N   UNL     1      -6.419  -3.706  -1.026  1.00  0.00           N  
HETATM   56  O   UNL     1     -11.837   0.126   1.246  1.00  0.00           O  
HETATM   57  C   UNL     1       2.349   5.911  -1.614  1.00  0.00           C  
HETATM   58  O   UNL     1       2.520   6.626  -0.650  1.00  0.00           O  
HETATM   59  H   UNL     1      10.015  -2.285   0.241  1.00  0.00           H  
HETATM   60  H   UNL     1      12.599  -1.344   1.562  1.00  0.00           H  
HETATM   61  H   UNL     1      11.328  -2.282   2.382  1.00  0.00           H  
HETATM   62  H   UNL     1      12.464  -0.108  -0.697  1.00  0.00           H  
HETATM   63  H   UNL     1      14.145  -3.291   2.109  1.00  0.00           H  
HETATM   64  H   UNL     1      12.788  -4.212   2.801  1.00  0.00           H  
HETATM   65  H   UNL     1      15.129  -6.796   1.664  1.00  0.00           H  
HETATM   66  H   UNL     1      10.588  -3.910  -0.186  1.00  0.00           H  
HETATM   67  H   UNL     1      11.682  -5.274   0.145  1.00  0.00           H  
HETATM   68  H   UNL     1      10.711  -4.573   1.461  1.00  0.00           H  
HETATM   69  H   UNL     1      13.849  -2.463  -0.218  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.854  -2.219  -1.455  1.00  0.00           H  
HETATM   71  H   UNL     1       1.595   6.151  -3.596  1.00  0.00           H  
HETATM   72  H   UNL     1       0.347   7.615  -1.421  1.00  0.00           H  
HETATM   73  H   UNL     1       0.432   4.988  -0.261  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.786   6.198  -0.729  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.691   5.374  -4.371  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.849   4.754  -3.170  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.398   6.476  -3.165  1.00  0.00           H  
HETATM   78  H   UNL     1       1.403   3.492  -1.923  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.143   3.039  -2.680  1.00  0.00           H  
HETATM   80  H   UNL     1       1.150   3.765  -3.664  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.351  -3.325   1.365  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.160  -4.199   0.014  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.215  -6.487  -3.287  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.503   0.227   1.660  1.00  0.00           H  
HETATM   85  H   UNL     1       9.146   0.567  -0.992  1.00  0.00           H  
HETATM   86  H   UNL     1       7.998  -0.498  -0.146  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.947  -1.242   2.273  1.00  0.00           H  
HETATM   88  H   UNL     1       7.430   1.349   1.408  1.00  0.00           H  
HETATM   89  H   UNL     1       8.578   2.414   0.562  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.456   0.282  -0.169  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.697   5.566   0.350  1.00  0.00           H  
HETATM   92  H   UNL     1       6.765   1.371  -1.337  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.649   0.778   2.174  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.536  -0.605   2.036  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.161  -7.641  -2.294  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.208  -8.657  -3.128  1.00  0.00           H  
HETATM   97  H   UNL     1       5.449   3.522  -2.288  1.00  0.00           H  
HETATM   98  H   UNL     1       4.301   2.457  -1.441  1.00  0.00           H  
HETATM   99  H   UNL     1       3.733   4.304   0.113  1.00  0.00           H  
HETATM  100  H   UNL     1       4.881   5.369  -0.734  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.451  -3.292  -0.207  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.676   1.791   2.114  1.00  0.00           H  
HETATM  103  H   UNL     1       3.068   4.327  -2.632  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.520   0.444   1.852  1.00  0.00           H  
CONECT    1   21    2    3   59                                       
CONECT    2    1    4   60   61                                       
CONECT    3    1   62                                                 
CONECT    4    2    9   10    6                                       
CONECT    5    8    8                                                 
CONECT    6    4    8   63   64                                       
CONECT    7    8   65                                                 
CONECT    8    5    5    6    7                                       
CONECT    9    4   66   67   68                                       
CONECT   10    4   69                                                 
CONECT   11   35   55   22   70                                       
CONECT   12   13   14   57   71                                       
CONECT   13   12   72                                                 
CONECT   14   12   15   16   17                                       
CONECT   15   14   47   73   74                                       
CONECT   16   14   75   76   77                                       
CONECT   17   14   78   79   80                                       
CONECT   18   45   45   24                                            
CONECT   19   20   20                                                 
CONECT   20   19   19   32   25                                       
CONECT   20   40                                                      
CONECT   21    1   27                                                 
CONECT   22   11   28   23   81                                       
CONECT   23   22   82                                                 
CONECT   24   18   31   31   83                                       
CONECT   25   20   84                                                 
CONECT   26   42   42   37   32                                       
CONECT   26   47                                                      
CONECT   27   21   33   85   86                                       
CONECT   28   22   34   29   87                                       
CONECT   29   28   30                                                 
CONECT   30   29   50   50   56                                       
CONECT   30   53                                                      
CONECT   31   24   24   36                                            
CONECT   32   20   26                                                 
CONECT   33   27   38   88   89                                       
CONECT   34   28   39   35   90                                       
CONECT   35   11   34                                                 
CONECT   36   31   41   41   55                                       
CONECT   37   26   91                                                 
CONECT   38   33   43   92                                            
CONECT   39   34   40   93   94                                       
CONECT   40   20   39                                                 
CONECT   41   36   36   49   45                                       
CONECT   42   26   26                                                 
CONECT   43   38   48   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   18   18   41   46                                       
CONECT   46   45   95   96                                            
CONECT   47   15   26                                                 
CONECT   48   43   51   97   98                                       
CONECT   49   41   52   52                                            
CONECT   50   30   30                                                 
CONECT   51   48   54   99  100                                       
CONECT   52   49   49   55  101                                       
CONECT   53   30  102                                                 
CONECT   54   51   57  103                                            
CONECT   55   11   36   52                                            
CONECT   56   30  104                                                 
CONECT   57   12   54   58   58                                       
CONECT   58   57   57                                                 
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
CONECT  103   54                                                      
CONECT  104   56                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
