COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.205  -2.021   2.490  1.00  0.00           O  
HETATM    2  C   UNL     1      11.299  -1.547   0.471  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.772  -0.243  -1.115  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.203  -1.510  -0.909  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.369  -2.512  -0.989  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.718  -3.760  -0.656  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.935  -4.668  -0.865  1.00  0.00           O  
HETATM    8  N   UNL     1      -7.907  -4.040  -0.096  1.00  0.00           N  
HETATM    9  C   UNL     1      -8.871  -3.104  -0.019  1.00  0.00           C  
HETATM   10  O   UNL     1      -9.920  -3.366   0.531  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.660  -1.744  -0.606  1.00  0.00           C  
HETATM   12  N   UNL     1      -9.107  -0.684   0.306  1.00  0.00           N  
HETATM   13  C   UNL     1      -8.763   0.630  -0.040  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.587   0.841  -0.764  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.227   2.131  -1.120  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.027   3.198  -0.752  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.634   4.599  -1.144  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.182   2.986  -0.022  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.552   1.696   0.352  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.028   4.162   0.394  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.453  -0.005  -1.704  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.407   0.092  -0.592  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.740   1.173   0.282  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.028   0.340  -1.208  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.695  -0.741  -2.081  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.983   0.437  -0.095  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.316   1.518   0.779  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.604   0.685  -0.711  1.00  0.00           C  
HETATM   29  O   UNL     1       0.388   0.660   0.317  1.00  0.00           O  
HETATM   30  P   UNL     1       1.806   0.926  -0.398  1.00  0.00           P  
HETATM   31  O   UNL     1       2.143  -0.294  -1.393  1.00  0.00           O  
HETATM   32  O   UNL     1       1.740   2.188  -1.170  1.00  0.00           O  
HETATM   33  O   UNL     1       2.958   1.042   0.720  1.00  0.00           O  
HETATM   34  P   UNL     1       4.195   1.813   0.036  1.00  0.00           P  
HETATM   35  O   UNL     1       3.905   3.396   0.032  1.00  0.00           O  
HETATM   36  O   UNL     1       4.363   1.338  -1.356  1.00  0.00           O  
HETATM   37  O   UNL     1       5.540   1.516   0.870  1.00  0.00           O  
HETATM   38  C   UNL     1       6.614   2.125   0.152  1.00  0.00           C  
HETATM   39  C   UNL     1       7.929   1.879   0.895  1.00  0.00           C  
HETATM   40  O   UNL     1       8.251   0.479   0.868  1.00  0.00           O  
HETATM   41  C   UNL     1       9.690   0.379   0.800  1.00  0.00           C  
HETATM   42  N   UNL     1      10.092  -0.927   0.271  1.00  0.00           N  
HETATM   43  N   UNL     1      12.409  -1.248   1.139  1.00  0.00           N  
HETATM   44  C   UNL     1      13.431  -2.078   1.148  1.00  0.00           C  
HETATM   45  N   UNL     1      13.411  -3.234   0.510  1.00  0.00           N  
HETATM   46  C   UNL     1      12.343  -3.621  -0.181  1.00  0.00           C  
HETATM   47  N   UNL     1      12.332  -4.834  -0.846  1.00  0.00           N  
HETATM   48  C   UNL     1      11.226  -2.769  -0.220  1.00  0.00           C  
HETATM   49  N   UNL     1      10.004  -2.826  -0.801  1.00  0.00           N  
HETATM   50  C   UNL     1       9.337  -1.747  -0.514  1.00  0.00           C  
HETATM   51  C   UNL     1      10.085   1.513  -0.180  1.00  0.00           C  
HETATM   52  O   UNL     1      11.429   1.942   0.052  1.00  0.00           O  
HETATM   53  C   UNL     1       9.076   2.631   0.193  1.00  0.00           C  
HETATM   54  O   UNL     1       9.681   3.575   1.079  1.00  0.00           O  
HETATM   55  S   UNL     1      -9.997  -1.019   1.662  1.00  0.00           S  
HETATM   56  O   UNL     1     -10.011   0.183   2.420  1.00  0.00           O  
HETATM   57  O   UNL     1     -11.147  -1.718   1.207  1.00  0.00           O  
HETATM   58  H   UNL     1      -9.731  -2.210   3.279  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.072  -4.928   0.256  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.227  -1.670  -1.534  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.322   2.304  -1.685  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.070   4.841  -2.113  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.001   5.301  -0.395  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.548   4.668  -1.206  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.440   1.524   0.942  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.681   4.537   1.357  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.947   4.951  -0.354  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.068   3.848   0.480  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.199  -0.829  -2.371  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.469   0.927  -2.269  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.390  -0.840  -0.027  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.744   1.976  -0.256  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.045   1.272  -1.773  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.691  -1.544  -1.543  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.966  -0.495   0.470  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.320   2.321   0.241  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.388  -0.092  -1.444  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.595   1.659  -1.201  1.00  0.00           H  
HETATM   79  H   UNL     1       2.177  -1.095  -0.851  1.00  0.00           H  
HETATM   80  H   UNL     1       3.802   3.664   0.956  1.00  0.00           H  
HETATM   81  H   UNL     1       6.675   1.693  -0.847  1.00  0.00           H  
HETATM   82  H   UNL     1       6.437   3.198   0.074  1.00  0.00           H  
HETATM   83  H   UNL     1       7.840   2.219   1.927  1.00  0.00           H  
HETATM   84  H   UNL     1      10.133   0.547   1.781  1.00  0.00           H  
HETATM   85  H   UNL     1      14.319  -1.803   1.697  1.00  0.00           H  
HETATM   86  H   UNL     1      11.546  -5.105  -1.347  1.00  0.00           H  
HETATM   87  H   UNL     1      13.109  -5.414  -0.812  1.00  0.00           H  
HETATM   88  H   UNL     1       8.333  -1.531  -0.849  1.00  0.00           H  
HETATM   89  H   UNL     1       9.953   1.197  -1.214  1.00  0.00           H  
HETATM   90  H   UNL     1      11.612   2.645  -0.586  1.00  0.00           H  
HETATM   91  H   UNL     1       8.712   3.131  -0.704  1.00  0.00           H  
HETATM   92  H   UNL     1      10.426   3.967   0.604  1.00  0.00           H  
CONECT    1   55   58                                                 
CONECT    2   42   43   48   48                                       
CONECT    3    4   14   21                                            
CONECT    4    3    5    5   11                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   59                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    4    9   12   60                                       
CONECT   12   11   13   55                                            
CONECT   13   12   14   19   19                                       
CONECT   14    3   13   15   15                                       
CONECT   15   14   14   16   61                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16   62   63   64                                       
CONECT   18   16   16   19   20                                       
CONECT   19   13   13   18   65                                       
CONECT   20   18   66   67   68                                       
CONECT   21    3   22   69   70                                       
CONECT   22   21   23   24   71                                       
CONECT   23   22   72                                                 
CONECT   24   22   25   26   73                                       
CONECT   25   24   74                                                 
CONECT   26   24   27   28   75                                       
CONECT   27   26   76                                                 
CONECT   28   26   29   77   78                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   32   32                                       
CONECT   30   33                                                      
CONECT   31   30   79                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   36   36                                       
CONECT   34   37                                                      
CONECT   35   34   80                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39   81   82                                       
CONECT   39   38   40   53   83                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   51   84                                       
CONECT   42    2   41   50                                            
CONECT   43    2   44   44                                            
CONECT   44   43   43   45   85                                       
CONECT   45   44   46   46                                            
CONECT   46   45   45   47   48                                       
CONECT   47   46   86   87                                            
CONECT   48    2    2   46   49                                       
CONECT   49   48   50   50                                            
CONECT   50   42   49   49   88                                       
CONECT   51   41   52   53   89                                       
CONECT   52   51   90                                                 
CONECT   53   39   51   54   91                                       
CONECT   54   53   92                                                 
CONECT   55    1   12   56   56                                       
CONECT   55   57   57                                                 
CONECT   56   55   55                                                 
CONECT   57   55   55                                                 
CONECT   58    1                                                      
CONECT   59    8                                                      
CONECT   60   11                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   31                                                      
CONECT   80   35                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   44                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   50                                                      
CONECT   89   51                                                      
CONECT   90   52                                                      
CONECT   91   53                                                      
CONECT   92   54                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
