COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.459   1.213   0.290  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.279   2.033   0.623  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.341   3.085   0.277  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.170   3.508  -0.572  1.00  0.00           C  
HETATM    5  C   UNL     1       0.351   1.236  -1.225  1.00  0.00           C  
HETATM    6  C   UNL     1       1.378   0.112  -1.071  1.00  0.00           C  
HETATM    7  C   UNL     1       2.705   0.550  -1.697  1.00  0.00           C  
HETATM    8  C   UNL     1       3.176   1.842  -1.024  1.00  0.00           C  
HETATM    9  C   UNL     1       3.428   1.581   0.462  1.00  0.00           C  
HETATM   10  C   UNL     1       5.913   1.138   0.718  1.00  0.00           C  
HETATM   11  C   UNL     1       6.385   1.628  -0.652  1.00  0.00           C  
HETATM   12  C   UNL     1       8.357   2.238  -1.919  1.00  0.00           C  
HETATM   13  C   UNL     1       8.009   3.153   0.296  1.00  0.00           C  
HETATM   14  C   UNL     1       4.299  -0.686   0.651  1.00  0.00           C  
HETATM   15  C   UNL     1       5.426  -1.641   0.702  1.00  0.00           C  
HETATM   16  C   UNL     1       5.330  -2.792   1.504  1.00  0.00           C  
HETATM   17  C   UNL     1       6.351  -3.684   1.567  1.00  0.00           C  
HETATM   18  C   UNL     1       7.526  -3.462   0.826  1.00  0.00           C  
HETATM   19  C   UNL     1       8.596  -4.371   0.875  1.00  0.00           C  
HETATM   20  C   UNL     1       9.720  -4.130   0.145  1.00  0.00           C  
HETATM   21  C   UNL     1       9.828  -2.993  -0.652  1.00  0.00           C  
HETATM   22  C   UNL     1       8.813  -2.089  -0.725  1.00  0.00           C  
HETATM   23  C   UNL     1       7.635  -2.305   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1       6.567  -1.397  -0.044  1.00  0.00           C  
HETATM   25  C   UNL     1       2.097   2.916  -1.180  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.455   3.444   1.559  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.315   2.341  -0.198  1.00  0.00           N  
HETATM   28  N   UNL     1       0.848   2.449  -0.564  1.00  0.00           N  
HETATM   29  N   UNL     1       4.540   0.639   0.612  1.00  0.00           N  
HETATM   30  N   UNL     1       7.807   1.991  -0.579  1.00  0.00           N  
HETATM   31  O   UNL     1       3.155  -1.097   0.644  1.00  0.00           O  
HETATM   32  S   UNL     1      -2.950   2.761   2.194  1.00  0.00           S  
HETATM   33  H   UNL     1      -0.507   3.681  -1.594  1.00  0.00           H  
HETATM   34  H   UNL     1       0.257   4.426  -0.170  1.00  0.00           H  
HETATM   35  H   UNL     1       0.191   1.439  -2.284  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.590   0.933  -0.767  1.00  0.00           H  
HETATM   37  H   UNL     1       1.529  -0.101  -0.012  1.00  0.00           H  
HETATM   38  H   UNL     1       1.016  -0.784  -1.575  1.00  0.00           H  
HETATM   39  H   UNL     1       3.452  -0.230  -1.551  1.00  0.00           H  
HETATM   40  H   UNL     1       2.564   0.724  -2.764  1.00  0.00           H  
HETATM   41  H   UNL     1       4.099   2.182  -1.495  1.00  0.00           H  
HETATM   42  H   UNL     1       3.677   2.519   0.959  1.00  0.00           H  
HETATM   43  H   UNL     1       2.530   1.159   0.914  1.00  0.00           H  
HETATM   44  H   UNL     1       6.565   0.335   1.062  1.00  0.00           H  
HETATM   45  H   UNL     1       5.946   1.963   1.430  1.00  0.00           H  
HETATM   46  H   UNL     1       6.250   0.835  -1.388  1.00  0.00           H  
HETATM   47  H   UNL     1       5.802   2.500  -0.947  1.00  0.00           H  
HETATM   48  H   UNL     1       7.811   3.056  -2.390  1.00  0.00           H  
HETATM   49  H   UNL     1       9.410   2.505  -1.836  1.00  0.00           H  
HETATM   50  H   UNL     1       8.257   1.338  -2.525  1.00  0.00           H  
HETATM   51  H   UNL     1       7.509   4.022  -0.132  1.00  0.00           H  
HETATM   52  H   UNL     1       7.593   2.943   1.281  1.00  0.00           H  
HETATM   53  H   UNL     1       9.076   3.357   0.388  1.00  0.00           H  
HETATM   54  H   UNL     1       4.431  -2.969   2.077  1.00  0.00           H  
HETATM   55  H   UNL     1       6.262  -4.563   2.188  1.00  0.00           H  
HETATM   56  H   UNL     1       8.527  -5.256   1.489  1.00  0.00           H  
HETATM   57  H   UNL     1      10.541  -4.831   0.186  1.00  0.00           H  
HETATM   58  H   UNL     1      10.731  -2.825  -1.221  1.00  0.00           H  
HETATM   59  H   UNL     1       8.910  -1.212  -1.347  1.00  0.00           H  
HETATM   60  H   UNL     1       6.635  -0.514  -0.663  1.00  0.00           H  
HETATM   61  H   UNL     1       2.423   3.833  -0.689  1.00  0.00           H  
HETATM   62  H   UNL     1       1.929   3.111  -2.239  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.753   4.052   2.111  1.00  0.00           H  
HETATM   64  C   UNL     1      -5.437   0.937   1.234  1.00  0.00           C  
HETATM   65  C   UNL     1      -6.524   0.115   0.844  1.00  0.00           C  
HETATM   66  C   UNL     1      -6.485  -0.557  -0.394  1.00  0.00           C  
HETATM   67  O   UNL     1      -5.386  -0.472  -1.182  1.00  0.00           O  
HETATM   68  C   UNL     1      -4.649   0.658  -1.061  1.00  0.00           C  
HETATM   69  O   UNL     1      -4.155   1.191  -2.037  1.00  0.00           O  
HETATM   70  C   UNL     1      -7.571  -1.318  -0.793  1.00  0.00           C  
HETATM   71  C   UNL     1      -8.678  -1.430   0.038  1.00  0.00           C  
HETATM   72  C   UNL     1      -8.701  -0.784   1.276  1.00  0.00           C  
HETATM   73  C   UNL     1      -7.642  -0.026   1.679  1.00  0.00           C  
HETATM   74  N   UNL     1      -9.771  -2.190  -0.365  1.00  0.00           N  
HETATM   75  C   UNL     1     -10.941  -2.311   0.508  1.00  0.00           C  
HETATM   76  C   UNL     1     -11.931  -1.188   0.194  1.00  0.00           C  
HETATM   77  C   UNL     1      -9.752  -2.869  -1.663  1.00  0.00           C  
HETATM   78  C   UNL     1      -9.163  -4.271  -1.497  1.00  0.00           C  
HETATM   79  H   UNL     1      -5.372   1.336   2.235  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.558  -1.822  -1.748  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.664   0.465   2.641  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.563  -0.886   1.918  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.421  -3.276   0.341  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.627  -2.238   1.549  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.801  -1.278   0.844  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.451  -0.223   0.361  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.245  -1.261  -0.847  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.769  -2.945  -2.048  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.141  -2.299  -2.363  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.149  -4.776  -2.463  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.146  -4.195  -1.112  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.774  -4.841  -0.797  1.00  0.00           H  
CONECT    1    2   64   64   68                                       
CONECT    2   32    1   27   27                                       
CONECT    3   26   26    4   27                                       
CONECT    4    3   28   33   34                                       
CONECT    5   28    6   35   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    8    6   39   40                                       
CONECT    8   25    9    7   41                                       
CONECT    9   29    8   42   43                                       
CONECT   10   11   29   44   45                                       
CONECT   11   10   30   46   47                                       
CONECT   12   30   48   49   50                                       
CONECT   13   30   51   52   53                                       
CONECT   14   31   31   15   29                                       
CONECT   15   16   14   24   24                                       
CONECT   16   17   17   15   54                                       
CONECT   17   16   16   18   55                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   56                                       
CONECT   20   19   21   21   57                                       
CONECT   21   20   20   22   58                                       
CONECT   22   23   23   21   59                                       
CONECT   23   18   24   22   22                                       
CONECT   24   15   15   23   60                                       
CONECT   25   28    8   61   62                                       
CONECT   26   32    3    3   63                                       
CONECT   27    2    2    3                                            
CONECT   28    4   25    5                                            
CONECT   29   14   10    9                                            
CONECT   30   12   11   13                                            
CONECT   31   14   14                                                 
CONECT   32   26    2                                                 
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64    1    1   65   79                                       
CONECT   65   64   66   73   73                                       
CONECT   66   65   67   70   70                                       
CONECT   67   66   68                                                 
CONECT   68   67    1   69   69                                       
CONECT   69   68   68                                                 
CONECT   70   66   66   71   80                                       
CONECT   71   70   72   72   74                                       
CONECT   72   71   71   73   82                                       
CONECT   73   72   65   65   81                                       
CONECT   74   71   75   77                                            
CONECT   75   74   76   83   84                                       
CONECT   76   75   85   86   87                                       
CONECT   77   74   78   88   89                                       
CONECT   78   77   90   91   92                                       
CONECT   79   64                                                      
CONECT   80   70                                                      
CONECT   81   73                                                      
CONECT   82   72                                                      
CONECT   83   75                                                      
CONECT   84   75                                                      
CONECT   85   76                                                      
CONECT   86   76                                                      
CONECT   87   76                                                      
CONECT   88   77                                                      
CONECT   89   77                                                      
CONECT   90   78                                                      
CONECT   91   78                                                      
CONECT   92   78                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
