COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.959   1.483  -9.333  1.00  0.00           N  
HETATM    2  C   UNL     1       2.710   1.273  -9.710  1.00  0.00           C  
HETATM    3  N   UNL     1       1.777   0.873  -8.872  1.00  0.00           N  
HETATM    4  C   UNL     1       2.064   0.657  -7.592  1.00  0.00           C  
HETATM    5  C   UNL     1       3.377   0.872  -7.140  1.00  0.00           C  
HETATM    6  C   UNL     1       4.338   1.298  -8.073  1.00  0.00           C  
HETATM    7  N   UNL     1       5.648   1.520  -7.688  1.00  0.00           N  
HETATM    8  N   UNL     1       3.395   0.589  -5.816  1.00  0.00           N  
HETATM    9  C   UNL     1       2.204   0.228  -5.434  1.00  0.00           C  
HETATM   10  N   UNL     1       1.346   0.257  -6.493  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.078  -0.082  -6.464  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.282  -1.608  -6.643  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.327  -1.957  -8.028  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.663  -1.831  -5.972  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.698  -1.867  -6.956  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.830  -0.610  -5.046  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.637   0.182  -5.160  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.011  -1.075  -3.600  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.158   0.063  -2.749  1.00  0.00           O  
HETATM   20  P   UNL     1      -2.343  -0.496  -1.251  1.00  0.00           P  
HETATM   21  O   UNL     1      -3.651  -1.432  -1.185  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.151  -1.286  -0.869  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.516   0.739  -0.233  1.00  0.00           O  
HETATM   24  P   UNL     1      -2.695   0.110   1.237  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.997  -0.836   1.261  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.498  -0.689   1.580  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.874   1.296   2.310  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.027   0.677   3.589  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.202   1.755   4.660  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.970   2.662   4.677  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.445   2.590   4.345  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.367   1.092   6.029  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.590   0.354   6.057  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.211   0.158   6.276  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.387  -1.041   6.263  1.00  0.00           O  
HETATM   36  N   UNL     1      -0.980   0.655   6.512  1.00  0.00           N  
HETATM   37  C   UNL     1       0.126  -0.249   6.833  1.00  0.00           C  
HETATM   38  C   UNL     1       1.402   0.565   7.054  1.00  0.00           C  
HETATM   39  C   UNL     1       2.541  -0.365   7.383  1.00  0.00           C  
HETATM   40  O   UNL     1       2.350  -1.561   7.436  1.00  0.00           O  
HETATM   41  N   UNL     1       3.771   0.132   7.619  1.00  0.00           N  
HETATM   42  C   UNL     1       4.878  -0.772   7.940  1.00  0.00           C  
HETATM   43  C   UNL     1       6.154   0.041   8.161  1.00  0.00           C  
HETATM   44  S   UNL     1       7.525  -1.078   8.558  1.00  0.00           S  
HETATM   45  H   UNL     1       2.445   1.436 -10.744  1.00  0.00           H  
HETATM   46  H   UNL     1       6.302   1.815  -8.341  1.00  0.00           H  
HETATM   47  H   UNL     1       5.913   1.382  -6.765  1.00  0.00           H  
HETATM   48  H   UNL     1       1.935  -0.053  -4.426  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.618   0.470  -7.233  1.00  0.00           H  
HETATM   50  H   UNL     1       0.497  -2.168  -6.127  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.456  -2.915  -8.070  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.659  -2.753  -5.390  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.504  -2.614  -7.538  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.695  -0.025  -5.358  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.137  -1.649  -3.291  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.901  -1.700  -3.527  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.403  -0.880  -1.440  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.753  -0.277   1.032  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.141   0.083   3.813  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.905   0.031   3.576  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.072   2.053   4.778  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.923   3.228   3.747  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.038   3.351   5.519  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.331   1.957   4.399  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.533   3.400   5.069  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.358   3.007   3.342  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.387   1.859   6.804  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.531  -0.310   5.358  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.828   1.612   6.470  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.111  -0.806   7.739  1.00  0.00           H  
HETATM   71  H   UNL     1       0.277  -0.944   6.007  1.00  0.00           H  
HETATM   72  H   UNL     1       1.639   1.122   6.148  1.00  0.00           H  
HETATM   73  H   UNL     1       1.251   1.260   7.879  1.00  0.00           H  
HETATM   74  H   UNL     1       3.923   1.089   7.577  1.00  0.00           H  
HETATM   75  H   UNL     1       4.641  -1.329   8.846  1.00  0.00           H  
HETATM   76  H   UNL     1       5.029  -1.468   7.114  1.00  0.00           H  
HETATM   77  H   UNL     1       6.391   0.599   7.255  1.00  0.00           H  
HETATM   78  H   UNL     1       6.003   0.737   8.986  1.00  0.00           H  
HETATM   79  H   UNL     1       8.519  -0.185   8.709  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    1    3    3   45                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   46   47                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   48                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   17   49                                       
CONECT   12   11   13   14   50                                       
CONECT   13   12   51                                                 
CONECT   14   12   15   16   52                                       
CONECT   15   14   53                                                 
CONECT   16   14   17   18   54                                       
CONECT   17   11   16                                                 
CONECT   18   16   19   55   56                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   22   22                                       
CONECT   20   23                                                      
CONECT   21   20   57                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   58                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   59   60                                       
CONECT   29   28   30   31   32                                       
CONECT   30   29   61   62   63                                       
CONECT   31   29   64   65   66                                       
CONECT   32   29   33   34   67                                       
CONECT   33   32   68                                                 
CONECT   34   32   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   69                                            
CONECT   37   36   38   70   71                                       
CONECT   38   37   39   72   73                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   74                                            
CONECT   42   41   43   75   76                                       
CONECT   43   42   44   77   78                                       
CONECT   44   43   79                                                 
CONECT   45    2                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
