COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -13.995   5.794   0.407  1.00  0.00           O  
HETATM    2  C   UNL     1     -14.687   4.655   0.249  1.00  0.00           C  
HETATM    3  O   UNL     1     -15.720   4.487   0.854  1.00  0.00           O  
HETATM    4  C   UNL     1     -14.177   3.586  -0.682  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.145   2.401  -0.678  1.00  0.00           C  
HETATM    6  O   UNL     1     -15.328   1.940   0.662  1.00  0.00           O  
HETATM    7  C   UNL     1     -16.492   2.842  -1.254  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.571   1.270  -1.533  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.233   0.851  -0.979  1.00  0.00           C  
HETATM   10  S   UNL     1     -12.684   1.495   0.509  1.00  0.00           S  
HETATM   11  S   UNL     1     -12.263  -0.268  -1.839  1.00  0.00           S  
HETATM   12  C   UNL     1     -10.842  -0.373  -0.723  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.811  -1.345  -1.301  1.00  0.00           C  
HETATM   14  N   UNL     1      -8.660  -1.430  -0.398  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.621  -2.231  -0.704  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.639  -2.883  -1.727  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.438  -2.319   0.224  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.407  -3.291  -0.353  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.256  -3.376   0.550  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.217  -4.178   0.243  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.189  -4.752  -0.825  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.091  -4.361   1.228  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.437  -3.742   2.468  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.819  -3.715   0.673  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.444  -4.382  -0.651  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.065  -2.223   0.441  1.00  0.00           C  
HETATM   27  C   UNL     1       0.322  -3.894   1.676  1.00  0.00           C  
HETATM   28  O   UNL     1       1.510  -3.291   1.158  1.00  0.00           O  
HETATM   29  P   UNL     1       2.911  -3.289   1.952  1.00  0.00           P  
HETATM   30  O   UNL     1       3.283  -4.680   2.298  1.00  0.00           O  
HETATM   31  O   UNL     1       2.762  -2.423   3.301  1.00  0.00           O  
HETATM   32  O   UNL     1       4.054  -2.643   1.022  1.00  0.00           O  
HETATM   33  P   UNL     1       5.663  -2.706   1.020  1.00  0.00           P  
HETATM   34  O   UNL     1       6.146  -4.083   0.340  1.00  0.00           O  
HETATM   35  O   UNL     1       6.161  -2.643   2.413  1.00  0.00           O  
HETATM   36  O   UNL     1       6.248  -1.461   0.185  1.00  0.00           O  
HETATM   37  C   UNL     1       7.645  -1.177   0.086  1.00  0.00           C  
HETATM   38  C   UNL     1       7.853   0.069  -0.777  1.00  0.00           C  
HETATM   39  C   UNL     1       9.360   0.321  -0.979  1.00  0.00           C  
HETATM   40  O   UNL     1       9.692   0.282  -2.368  1.00  0.00           O  
HETATM   41  P   UNL     1      10.745  -0.766  -2.989  1.00  0.00           P  
HETATM   42  O   UNL     1      10.338  -2.144  -2.633  1.00  0.00           O  
HETATM   43  O   UNL     1      10.775  -0.612  -4.591  1.00  0.00           O  
HETATM   44  O   UNL     1      12.212  -0.469  -2.394  1.00  0.00           O  
HETATM   45  C   UNL     1       9.587   1.742  -0.407  1.00  0.00           C  
HETATM   46  O   UNL     1      10.478   2.489  -1.237  1.00  0.00           O  
HETATM   47  C   UNL     1       8.158   2.341  -0.451  1.00  0.00           C  
HETATM   48  O   UNL     1       7.312   1.222  -0.110  1.00  0.00           O  
HETATM   49  N   UNL     1       8.019   3.416   0.535  1.00  0.00           N  
HETATM   50  C   UNL     1       7.528   3.291   1.801  1.00  0.00           C  
HETATM   51  N   UNL     1       7.547   4.445   2.401  1.00  0.00           N  
HETATM   52  C   UNL     1       8.050   5.382   1.561  1.00  0.00           C  
HETATM   53  C   UNL     1       8.364   4.732   0.356  1.00  0.00           C  
HETATM   54  C   UNL     1       8.301   6.761   1.655  1.00  0.00           C  
HETATM   55  N   UNL     1       8.018   7.455   2.819  1.00  0.00           N  
HETATM   56  N   UNL     1       8.817   7.385   0.601  1.00  0.00           N  
HETATM   57  C   UNL     1       9.090   6.732  -0.513  1.00  0.00           C  
HETATM   58  N   UNL     1       8.884   5.438  -0.643  1.00  0.00           N  
HETATM   59  H   UNL     1     -14.362   6.451   1.015  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.101   3.990  -1.692  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.194   3.253  -0.349  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.502   1.789   1.142  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.338   3.301  -2.230  1.00  0.00           H  
HETATM   64  H   UNL     1     -17.144   1.975  -1.359  1.00  0.00           H  
HETATM   65  H   UNL     1     -16.956   3.565  -0.582  1.00  0.00           H  
HETATM   66  H   UNL     1     -15.253   0.420  -1.518  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.446   1.617  -2.559  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.390   0.614  -0.616  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.171  -0.729   0.253  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.262  -2.331  -1.408  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.482  -0.988  -2.276  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.646  -0.909   0.420  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.986  -1.332   0.332  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.767  -2.676   1.200  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.858  -4.278  -0.460  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.078  -2.934  -1.329  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.242  -2.855   1.368  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.918  -5.425   1.388  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.606  -2.793   2.401  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.198  -4.148  -1.403  1.00  0.00           H  
HETATM   81  H   UNL     1       0.526  -4.012  -0.983  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.392  -5.462  -0.512  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.332  -1.747   1.385  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.159  -1.763   0.046  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.878  -2.095  -0.273  1.00  0.00           H  
HETATM   86  H   UNL     1       0.055  -3.418   2.620  1.00  0.00           H  
HETATM   87  H   UNL     1       0.497  -4.957   1.842  1.00  0.00           H  
HETATM   88  H   UNL     1       2.519  -1.499   3.150  1.00  0.00           H  
HETATM   89  H   UNL     1       5.855  -4.192  -0.576  1.00  0.00           H  
HETATM   90  H   UNL     1       8.052  -1.001   1.082  1.00  0.00           H  
HETATM   91  H   UNL     1       8.157  -2.025  -0.370  1.00  0.00           H  
HETATM   92  H   UNL     1       7.365  -0.064  -1.743  1.00  0.00           H  
HETATM   93  H   UNL     1       9.947  -0.412  -0.426  1.00  0.00           H  
HETATM   94  H   UNL     1      11.389  -1.214  -5.033  1.00  0.00           H  
HETATM   95  H   UNL     1      12.543   0.418  -2.589  1.00  0.00           H  
HETATM   96  H   UNL     1       9.958   1.695   0.616  1.00  0.00           H  
HETATM   97  H   UNL     1      10.652   3.386  -0.921  1.00  0.00           H  
HETATM   98  H   UNL     1       7.925   2.707  -1.451  1.00  0.00           H  
HETATM   99  H   UNL     1       7.176   2.370   2.240  1.00  0.00           H  
HETATM  100  H   UNL     1       7.642   6.988   3.582  1.00  0.00           H  
HETATM  101  H   UNL     1       8.196   8.407   2.872  1.00  0.00           H  
HETATM  102  H   UNL     1       9.509   7.277  -1.346  1.00  0.00           H  
CONECT    1    2   59                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   60   61                                       
CONECT    5    7    6    4    8                                       
CONECT    6    5   62                                                 
CONECT    7    5   63   64   65                                       
CONECT    8    5    9   66   67                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   68   69                                       
CONECT   13   14   12   70   71                                       
CONECT   14   15   13   72                                            
CONECT   15   16   16   17   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   73   74                                       
CONECT   18   19   17   75   76                                       
CONECT   19   20   18   77                                            
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   24   78                                       
CONECT   23   22   79                                                 
CONECT   24   22   27   25   26                                       
CONECT   25   24   80   81   82                                       
CONECT   26   24   83   84   85                                       
CONECT   27   28   24   86   87                                       
CONECT   28   29   27                                                 
CONECT   29   30   30   31   28                                       
CONECT   29   32                                                      
CONECT   30   29   29                                                 
CONECT   31   29   88                                                 
CONECT   32   29   33                                                 
CONECT   33   35   35   34   32                                       
CONECT   33   36                                                      
CONECT   34   33   89                                                 
CONECT   35   33   33                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   90   91                                       
CONECT   38   37   48   39   92                                       
CONECT   39   38   40   45   93                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   42   43                                       
CONECT   41   44                                                      
CONECT   42   41   41                                                 
CONECT   43   41   94                                                 
CONECT   44   41   95                                                 
CONECT   45   39   47   46   96                                       
CONECT   46   45   97                                                 
CONECT   47   48   49   45   98                                       
CONECT   48   38   47                                                 
CONECT   49   50   47   53                                            
CONECT   50   51   51   49   99                                       
CONECT   51   50   50   52                                            
CONECT   52   51   54   54   53                                       
CONECT   53   52   49   58   58                                       
CONECT   54   55   52   52   56                                       
CONECT   55   54  100  101                                            
CONECT   56   54   57   57                                            
CONECT   57   56   56   58  102                                       
CONECT   58   53   53   57                                            
CONECT   59    1                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   31                                                      
CONECT   89   34                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   50                                                      
CONECT  100   55                                                      
CONECT  101   55                                                      
CONECT  102   57                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
