COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.965  -5.623  -0.473  1.00  0.00           O  
HETATM    2  C   UNL     1       9.583  -5.458   0.562  1.00  0.00           C  
HETATM    3  C   UNL     1      10.355  -6.567   1.143  1.00  0.00           C  
HETATM    4  C   UNL     1      10.377  -7.751   0.537  1.00  0.00           C  
HETATM    5  C   UNL     1      11.168  -8.887   1.132  1.00  0.00           C  
HETATM    6  S   UNL     1       9.559  -3.888   1.361  1.00  0.00           S  
HETATM    7  C   UNL     1       8.496  -2.970   0.219  1.00  0.00           C  
HETATM    8  C   UNL     1       8.326  -1.536   0.722  1.00  0.00           C  
HETATM    9  N   UNL     1       7.465  -0.793  -0.202  1.00  0.00           N  
HETATM   10  C   UNL     1       7.174   0.501   0.040  1.00  0.00           C  
HETATM   11  O   UNL     1       7.624   1.050   1.023  1.00  0.00           O  
HETATM   12  C   UNL     1       6.289   1.265  -0.911  1.00  0.00           C  
HETATM   13  C   UNL     1       6.119   2.699  -0.408  1.00  0.00           C  
HETATM   14  N   UNL     1       5.258   3.442  -1.332  1.00  0.00           N  
HETATM   15  C   UNL     1       4.967   4.735  -1.090  1.00  0.00           C  
HETATM   16  O   UNL     1       5.342   5.259  -0.062  1.00  0.00           O  
HETATM   17  C   UNL     1       4.175   5.531  -2.095  1.00  0.00           C  
HETATM   18  O   UNL     1       4.281   6.923  -1.792  1.00  0.00           O  
HETATM   19  C   UNL     1       2.706   5.107  -2.038  1.00  0.00           C  
HETATM   20  C   UNL     1       1.878   6.010  -2.955  1.00  0.00           C  
HETATM   21  C   UNL     1       2.576   3.654  -2.501  1.00  0.00           C  
HETATM   22  C   UNL     1       2.195   5.232  -0.601  1.00  0.00           C  
HETATM   23  O   UNL     1       0.822   4.837  -0.548  1.00  0.00           O  
HETATM   24  P   UNL     1      -0.040   4.843   0.812  1.00  0.00           P  
HETATM   25  O   UNL     1       0.653   4.034   1.839  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.200   6.356   1.338  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.495   4.217   0.527  1.00  0.00           O  
HETATM   28  P   UNL     1      -2.680   3.668   1.469  1.00  0.00           P  
HETATM   29  O   UNL     1      -2.101   2.904   2.596  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.529   4.910   2.043  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.647   2.708   0.611  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.734   1.982   1.188  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.442   1.173   0.099  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.680   0.471   0.689  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.866   0.903   0.020  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.425  -1.033   0.424  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.625  -1.688   0.007  1.00  0.00           O  
HETATM   38  P   UNL     1      -8.264  -2.935   0.799  1.00  0.00           P  
HETATM   39  O   UNL     1      -9.530  -3.500  -0.020  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.249  -4.004   0.937  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.740  -2.456   2.261  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.565   0.148  -0.397  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.390  -0.989  -0.729  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.592  -2.217  -0.753  1.00  0.00           N  
HETATM   45  C   UNL     1      -4.933  -3.395  -1.367  1.00  0.00           C  
HETATM   46  N   UNL     1      -5.974  -3.816  -2.078  1.00  0.00           N  
HETATM   47  C   UNL     1      -6.013  -5.044  -2.549  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.371  -2.396  -0.174  1.00  0.00           C  
HETATM   49  N   UNL     1      -2.950  -3.608  -0.391  1.00  0.00           N  
HETATM   50  C   UNL     1      -3.869  -4.281  -1.124  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.957  -5.582  -1.648  1.00  0.00           C  
HETATM   52  N   UNL     1      -5.038  -5.912  -2.346  1.00  0.00           N  
HETATM   53  N   UNL     1      -2.941  -6.498  -1.441  1.00  0.00           N  
HETATM   54  H   UNL     1      10.903  -6.420   2.061  1.00  0.00           H  
HETATM   55  H   UNL     1       9.829  -7.898  -0.382  1.00  0.00           H  
HETATM   56  H   UNL     1      12.219  -8.604   1.196  1.00  0.00           H  
HETATM   57  H   UNL     1      10.790  -9.109   2.130  1.00  0.00           H  
HETATM   58  H   UNL     1      11.068  -9.770   0.500  1.00  0.00           H  
HETATM   59  H   UNL     1       8.952  -2.957  -0.771  1.00  0.00           H  
HETATM   60  H   UNL     1       7.520  -3.454   0.163  1.00  0.00           H  
HETATM   61  H   UNL     1       7.870  -1.549   1.712  1.00  0.00           H  
HETATM   62  H   UNL     1       9.301  -1.052   0.778  1.00  0.00           H  
HETATM   63  H   UNL     1       6.745   1.278  -1.901  1.00  0.00           H  
HETATM   64  H   UNL     1       5.313   0.781  -0.967  1.00  0.00           H  
HETATM   65  H   UNL     1       5.662   2.686   0.582  1.00  0.00           H  
HETATM   66  H   UNL     1       7.094   3.183  -0.352  1.00  0.00           H  
HETATM   67  H   UNL     1       4.568   5.346  -3.095  1.00  0.00           H  
HETATM   68  H   UNL     1       3.950   7.161  -0.915  1.00  0.00           H  
HETATM   69  H   UNL     1       2.300   5.993  -3.959  1.00  0.00           H  
HETATM   70  H   UNL     1       0.850   5.651  -2.987  1.00  0.00           H  
HETATM   71  H   UNL     1       1.895   7.030  -2.571  1.00  0.00           H  
HETATM   72  H   UNL     1       3.079   3.000  -1.789  1.00  0.00           H  
HETATM   73  H   UNL     1       1.521   3.385  -2.560  1.00  0.00           H  
HETATM   74  H   UNL     1       3.035   3.543  -3.483  1.00  0.00           H  
HETATM   75  H   UNL     1       2.784   4.589   0.052  1.00  0.00           H  
HETATM   76  H   UNL     1       2.287   6.267  -0.272  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.646   6.945   0.714  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.939   5.457   1.358  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.353   1.305   1.953  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.439   2.680   1.638  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.740   1.832  -0.717  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.753   0.663   1.759  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.043   1.850   0.104  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.006  -1.518   1.305  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.965  -4.254   0.400  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.406  -1.755   2.247  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.888  -0.835  -1.686  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.874  -5.354  -3.122  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.832  -1.644   0.383  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.156  -6.245  -0.930  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.013  -7.393  -1.808  1.00  0.00           H  
HETATM   92  H   UNL     1       7.105  -1.232  -0.988  1.00  0.00           H  
HETATM   93  H   UNL     1       4.897   3.003  -2.118  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    6    3                                       
CONECT    3    2   54    4    4                                       
CONECT    4    3    3   55    5                                       
CONECT    5    4   56   57   58                                       
CONECT    6    2    7                                                 
CONECT    7    6    8   59   60                                       
CONECT    8    7    9   61   62                                       
CONECT    9    8   10   92                                            
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   63   64   13                                       
CONECT   13   12   14   65   66                                       
CONECT   14   13   15   93                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   19   67                                       
CONECT   18   17   68                                                 
CONECT   19   17   20   21   22                                       
CONECT   20   19   69   70   71                                       
CONECT   21   19   72   73   74                                       
CONECT   22   19   75   76   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   27   26   25                                       
CONECT   24   25                                                      
CONECT   25   24   24                                                 
CONECT   26   24   77                                                 
CONECT   27   24   28                                                 
CONECT   28   27   31   29   29                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   78                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   79   80                                       
CONECT   33   32   42   81   34                                       
CONECT   34   33   36   82   35                                       
CONECT   35   34   83                                                 
CONECT   36   34   37   43   84                                       
CONECT   37   36   38                                                 
CONECT   38   37   41   39   40                                       
CONECT   38   40                                                      
CONECT   39   38   85                                                 
CONECT   40   38   38                                                 
CONECT   41   38   86                                                 
CONECT   42   33   43                                                 
CONECT   43   36   42   44   87                                       
CONECT   44   43   45   48                                            
CONECT   45   44   50   50   46                                       
CONECT   46   45   47   47                                            
CONECT   47   46   46   52   88                                       
CONECT   48   44   49   49   89                                       
CONECT   49   48   48   50                                            
CONECT   50   45   45   49   51                                       
CONECT   51   50   53   52   52                                       
CONECT   52   47   51   51                                            
CONECT   53   51   90   91                                            
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   26                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   39                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   53                                                      
CONECT   91   53                                                      
CONECT   92    9                                                      
CONECT   93   14                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
