COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      11.328   1.515   0.460  1.00  0.00           O  
HETATM    2  C   UNL     1      11.409   1.655  -0.742  1.00  0.00           C  
HETATM    3  C   UNL     1      12.458   2.564  -1.327  1.00  0.00           C  
HETATM    4  C   UNL     1      13.284   3.183  -0.197  1.00  0.00           C  
HETATM    5  C   UNL     1      14.266   4.200  -0.781  1.00  0.00           C  
HETATM    6  N   UNL     1      14.951   4.903   0.313  1.00  0.00           N1+
HETATM    7  C   UNL     1      15.726   3.939   1.105  1.00  0.00           C  
HETATM    8  C   UNL     1      15.855   5.917  -0.247  1.00  0.00           C  
HETATM    9  C   UNL     1      13.956   5.556   1.174  1.00  0.00           C  
HETATM   10  O   UNL     1      14.009   2.155   0.482  1.00  0.00           O  
HETATM   11  S   UNL     1      10.329   0.818  -1.775  1.00  0.00           S  
HETATM   12  C   UNL     1       9.346  -0.075  -0.546  1.00  0.00           C  
HETATM   13  C   UNL     1       8.284  -0.916  -1.256  1.00  0.00           C  
HETATM   14  N   UNL     1       7.488  -1.639  -0.261  1.00  0.00           N  
HETATM   15  C   UNL     1       6.486  -2.449  -0.658  1.00  0.00           C  
HETATM   16  O   UNL     1       6.244  -2.579  -1.839  1.00  0.00           O  
HETATM   17  C   UNL     1       5.668  -3.192   0.366  1.00  0.00           C  
HETATM   18  C   UNL     1       4.605  -4.034  -0.344  1.00  0.00           C  
HETATM   19  N   UNL     1       3.809  -4.757   0.651  1.00  0.00           N  
HETATM   20  C   UNL     1       2.808  -5.567   0.254  1.00  0.00           C  
HETATM   21  O   UNL     1       2.593  -5.730  -0.928  1.00  0.00           O  
HETATM   22  C   UNL     1       1.955  -6.269   1.279  1.00  0.00           C  
HETATM   23  O   UNL     1       1.132  -7.240   0.630  1.00  0.00           O  
HETATM   24  C   UNL     1       1.069  -5.245   1.993  1.00  0.00           C  
HETATM   25  C   UNL     1       1.947  -4.289   2.804  1.00  0.00           C  
HETATM   26  C   UNL     1       0.105  -5.973   2.932  1.00  0.00           C  
HETATM   27  C   UNL     1       0.271  -4.451   0.957  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.556  -3.495   1.624  1.00  0.00           O  
HETATM   29  P   UNL     1      -1.363  -2.700   0.480  1.00  0.00           P  
HETATM   30  O   UNL     1      -2.122  -3.709  -0.411  1.00  0.00           O1-
HETATM   31  O   UNL     1      -0.369  -1.894  -0.386  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.415  -1.693   1.167  1.00  0.00           O  
HETATM   33  P   UNL     1      -3.520  -1.342   0.050  1.00  0.00           P  
HETATM   34  O   UNL     1      -3.933  -2.584  -0.642  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.895  -0.314  -1.019  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.802  -0.670   0.756  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.788  -0.492  -0.262  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.039   0.146   0.346  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.151   0.235  -0.717  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.304  -0.502  -0.307  1.00  0.00           O  
HETATM   41  P   UNL     1      -9.614  -1.568  -1.473  1.00  0.00           P  
HETATM   42  O   UNL     1      -8.408  -2.387  -1.727  1.00  0.00           O  
HETATM   43  O   UNL     1     -10.826  -2.525  -1.018  1.00  0.00           O  
HETATM   44  O   UNL     1     -10.024  -0.786  -2.820  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.475   1.750  -0.797  1.00  0.00           C  
HETATM   46  O   UNL     1      -9.884   1.964  -0.905  1.00  0.00           O  
HETATM   47  C   UNL     1      -7.940   2.269   0.562  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.745   1.487   0.774  1.00  0.00           O  
HETATM   49  N   UNL     1      -7.615   3.695   0.482  1.00  0.00           N  
HETATM   50  C   UNL     1      -8.472   4.737   0.732  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.723   5.910   0.533  1.00  0.00           C  
HETATM   52  N   UNL     1      -6.474   5.530   0.171  1.00  0.00           N  
HETATM   53  C   UNL     1      -6.409   4.230   0.141  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.362   7.146   0.728  1.00  0.00           C  
HETATM   55  N   UNL     1      -7.678   8.334   0.541  1.00  0.00           N  
HETATM   56  N   UNL     1      -9.640   7.148   1.094  1.00  0.00           N  
HETATM   57  C   UNL     1     -10.301   6.019   1.274  1.00  0.00           C  
HETATM   58  N   UNL     1      -9.744   4.839   1.104  1.00  0.00           N  
HETATM   59  H   UNL     1      13.113   1.989  -1.982  1.00  0.00           H  
HETATM   60  H   UNL     1      11.975   3.356  -1.900  1.00  0.00           H  
HETATM   61  H   UNL     1      12.618   3.683   0.507  1.00  0.00           H  
HETATM   62  H   UNL     1      15.002   3.682  -1.397  1.00  0.00           H  
HETATM   63  H   UNL     1      13.723   4.921  -1.392  1.00  0.00           H  
HETATM   64  H   UNL     1      16.318   3.313   0.437  1.00  0.00           H  
HETATM   65  H   UNL     1      16.390   4.476   1.782  1.00  0.00           H  
HETATM   66  H   UNL     1      15.046   3.313   1.682  1.00  0.00           H  
HETATM   67  H   UNL     1      15.279   6.632  -0.835  1.00  0.00           H  
HETATM   68  H   UNL     1      16.363   6.438   0.564  1.00  0.00           H  
HETATM   69  H   UNL     1      16.593   5.432  -0.886  1.00  0.00           H  
HETATM   70  H   UNL     1      13.285   4.804   1.589  1.00  0.00           H  
HETATM   71  H   UNL     1      14.464   6.077   1.985  1.00  0.00           H  
HETATM   72  H   UNL     1      13.380   6.271   0.586  1.00  0.00           H  
HETATM   73  H   UNL     1      14.584   1.739  -0.175  1.00  0.00           H  
HETATM   74  H   UNL     1       8.859   0.639   0.119  1.00  0.00           H  
HETATM   75  H   UNL     1       9.997  -0.727   0.036  1.00  0.00           H  
HETATM   76  H   UNL     1       8.770  -1.630  -1.920  1.00  0.00           H  
HETATM   77  H   UNL     1       7.633  -0.264  -1.838  1.00  0.00           H  
HETATM   78  H   UNL     1       7.681  -1.535   0.684  1.00  0.00           H  
HETATM   79  H   UNL     1       5.181  -2.478   1.030  1.00  0.00           H  
HETATM   80  H   UNL     1       6.319  -3.845   0.948  1.00  0.00           H  
HETATM   81  H   UNL     1       5.092  -4.748  -1.008  1.00  0.00           H  
HETATM   82  H   UNL     1       3.954  -3.382  -0.926  1.00  0.00           H  
HETATM   83  H   UNL     1       4.003  -4.652   1.596  1.00  0.00           H  
HETATM   84  H   UNL     1       2.597  -6.765   2.008  1.00  0.00           H  
HETATM   85  H   UNL     1       0.582  -6.761  -0.004  1.00  0.00           H  
HETATM   86  H   UNL     1       2.608  -4.864   3.452  1.00  0.00           H  
HETATM   87  H   UNL     1       2.543  -3.679   2.125  1.00  0.00           H  
HETATM   88  H   UNL     1       1.314  -3.643   3.412  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.571  -5.250   3.390  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.473  -6.702   2.365  1.00  0.00           H  
HETATM   91  H   UNL     1       0.672  -6.484   3.710  1.00  0.00           H  
HETATM   92  H   UNL     1       0.958  -3.933   0.288  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.354  -5.132   0.380  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.640   0.479  -0.528  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.391   0.157  -1.043  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.046  -1.460  -0.691  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.383  -0.446   1.193  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.789  -0.128  -1.679  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.979  -3.146  -1.743  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.812  -0.266  -2.612  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.947   2.219  -1.627  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.026   2.919  -0.856  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.664   2.085   1.355  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.529   3.660  -0.117  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.746   8.320   0.273  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.130   9.181   0.679  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.338   6.066   1.573  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4   59   60                                       
CONECT    4    3    5   10   61                                       
CONECT    5    4    6   62   63                                       
CONECT    6    5    7    8    9                                       
CONECT    7    6   64   65   66                                       
CONECT    8    6   67   68   69                                       
CONECT    9    6   70   71   72                                       
CONECT   10    4   73                                                 
CONECT   11    2   12                                                 
CONECT   12   11   13   74   75                                       
CONECT   13   12   14   76   77                                       
CONECT   14   13   15   78                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   79   80                                       
CONECT   18   17   19   81   82                                       
CONECT   19   18   20   83                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   24   84                                       
CONECT   23   22   85                                                 
CONECT   24   22   25   26   27                                       
CONECT   25   24   86   87   88                                       
CONECT   26   24   89   90   91                                       
CONECT   27   24   28   92   93                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   31   31                                       
CONECT   29   32                                                      
CONECT   30   29                                                      
CONECT   31   29   29                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   33   36                                                      
CONECT   34   33   33                                                 
CONECT   35   33   94                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   95   96                                       
CONECT   38   37   39   48   97                                       
CONECT   39   38   40   45   98                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   42   43                                       
CONECT   41   44                                                      
CONECT   42   41   41                                                 
CONECT   43   41   99                                                 
CONECT   44   41  100                                                 
CONECT   45   39   46   47  101                                       
CONECT   46   45  102                                                 
CONECT   47   45   48   49  103                                       
CONECT   48   38   47                                                 
CONECT   49   47   50   53                                            
CONECT   50   49   51   51   58                                       
CONECT   51   50   50   52   54                                       
CONECT   52   51   53   53                                            
CONECT   53   49   52   52  104                                       
CONECT   54   51   55   56   56                                       
CONECT   55   54  105  106                                            
CONECT   56   54   54   57                                            
CONECT   57   56   58   58  107                                       
CONECT   58   50   57   57                                            
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   12                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   13                                                      
CONECT   78   14                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   35                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   53                                                      
CONECT  105   55                                                      
CONECT  106   55                                                      
CONECT  107   57                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
