COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.784   0.726  -0.798  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.178  -1.783   0.331  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.979  -0.917  -0.642  1.00  0.00           C  
HETATM    4  N   UNL     1       3.562   5.637  -1.181  1.00  0.00           N1+
HETATM    5  C   UNL     1      -9.017  -0.104   0.134  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.656  -4.906  -0.851  1.00  0.00           O  
HETATM    7  C   UNL     1       0.238  -4.439  -2.277  1.00  0.00           C  
HETATM    8  O   UNL     1       7.088   2.570  -0.505  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.339  -3.463   0.529  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.140  -2.596  -0.445  1.00  0.00           C  
HETATM   11  N   UNL     1      10.774  -0.391   0.133  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.563  -5.070   0.624  1.00  0.00           C  
HETATM   13  O   UNL     1     -11.666   2.121  -1.459  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.567  -5.831  -0.253  1.00  0.00           C  
HETATM   15  O   UNL     1     -11.947   0.359   0.256  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.678  -5.517  -1.695  1.00  0.00           C  
HETATM   17  N   UNL     1       0.999  -3.808  -1.196  1.00  0.00           N  
HETATM   18  C   UNL     1       1.875  -2.823  -1.475  1.00  0.00           C  
HETATM   19  O   UNL     1       2.035  -2.458  -2.623  1.00  0.00           O  
HETATM   20  C   UNL     1     -10.700   2.605   0.981  1.00  0.00           C  
HETATM   21  C   UNL     1       2.644  -2.185  -0.382  1.00  0.00           C  
HETATM   22  C   UNL     1       3.546  -1.164  -0.671  1.00  0.00           C  
HETATM   23  C   UNL     1       4.268  -0.564   0.359  1.00  0.00           C  
HETATM   24  C   UNL     1       5.224   0.518   0.061  1.00  0.00           C  
HETATM   25  C   UNL     1       6.672   0.279   0.080  1.00  0.00           C  
HETATM   26  C   UNL     1       7.175  -0.993   0.384  1.00  0.00           C  
HETATM   27  C   UNL     1       8.521  -1.206   0.400  1.00  0.00           C  
HETATM   28  C   UNL     1       7.554   1.338  -0.209  1.00  0.00           C  
HETATM   29  C   UNL     1       5.768   2.854  -0.540  1.00  0.00           C  
HETATM   30  C   UNL     1       4.779   1.816  -0.252  1.00  0.00           C  
HETATM   31  C   UNL     1       3.400   2.113  -0.289  1.00  0.00           C  
HETATM   32  C   UNL     1       2.988   3.365  -0.593  1.00  0.00           C  
HETATM   33  C   UNL     1       3.970   4.409  -0.883  1.00  0.00           C  
HETATM   34  C   UNL     1       4.544   6.684  -1.471  1.00  0.00           C  
HETATM   35  C   UNL     1       2.130   5.944  -1.219  1.00  0.00           C  
HETATM   36  C   UNL     1       5.349   4.115  -0.845  1.00  0.00           C  
HETATM   37  C   UNL     1       8.921   1.104  -0.189  1.00  0.00           C  
HETATM   38  C   UNL     1       9.403  -0.161   0.114  1.00  0.00           C  
HETATM   39  C   UNL     1      11.704   0.701  -0.167  1.00  0.00           C  
HETATM   40  C   UNL     1      11.289  -1.724   0.453  1.00  0.00           C  
HETATM   41  C   UNL     1       4.081  -0.998   1.688  1.00  0.00           C  
HETATM   42  C   UNL     1       4.842  -0.368   2.787  1.00  0.00           C  
HETATM   43  C   UNL     1       3.176  -2.020   1.962  1.00  0.00           C  
HETATM   44  C   UNL     1       2.460  -2.606   0.937  1.00  0.00           C  
HETATM   45  F   UNL     1     -11.831   3.265   1.474  1.00  0.00           F  
HETATM   46  F   UNL     1      -9.813   3.540   0.439  1.00  0.00           F  
HETATM   47  F   UNL     1     -10.072   1.914   2.023  1.00  0.00           F  
HETATM   48  O   UNL     1      -4.370  -4.222  -0.196  1.00  0.00           O  
HETATM   49  O   UNL     1       4.661  -0.783   4.056  1.00  0.00           O  
HETATM   50  O   UNL     1       5.630   0.524   2.547  1.00  0.00           O  
HETATM   51  S   UNL     1     -11.201   1.430  -0.308  1.00  0.00           S  
HETATM   52  H   UNL     1      -9.460   0.867  -1.702  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.672  -1.144   1.055  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.853  -2.461   0.855  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.304  -0.239  -1.166  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.485  -1.556  -1.366  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.511   0.536   0.857  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.692  -0.781   0.657  1.00  0.00           H  
HETATM   59  H   UNL     1       0.927  -4.894  -2.989  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.365  -3.686  -2.785  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.833  -2.824   1.252  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.014  -4.140   1.052  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.646  -3.236  -1.168  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.465  -1.919  -0.968  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.201  -5.781   1.150  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.020  -4.464   1.349  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.106  -6.367  -1.034  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.013  -6.542   0.360  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.085  -6.222  -1.112  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.178  -6.047  -2.506  1.00  0.00           H  
HETATM   71  H   UNL     1       0.871  -4.099  -0.280  1.00  0.00           H  
HETATM   72  H   UNL     1       3.685  -0.837  -1.691  1.00  0.00           H  
HETATM   73  H   UNL     1       6.497  -1.804   0.606  1.00  0.00           H  
HETATM   74  H   UNL     1       8.908  -2.187   0.635  1.00  0.00           H  
HETATM   75  H   UNL     1       2.675   1.342  -0.076  1.00  0.00           H  
HETATM   76  H   UNL     1       1.933   3.594  -0.622  1.00  0.00           H  
HETATM   77  H   UNL     1       4.026   7.617  -1.692  1.00  0.00           H  
HETATM   78  H   UNL     1       5.192   6.825  -0.606  1.00  0.00           H  
HETATM   79  H   UNL     1       5.145   6.390  -2.332  1.00  0.00           H  
HETATM   80  H   UNL     1       1.802   6.271  -0.232  1.00  0.00           H  
HETATM   81  H   UNL     1       1.948   6.737  -1.944  1.00  0.00           H  
HETATM   82  H   UNL     1       1.575   5.052  -1.509  1.00  0.00           H  
HETATM   83  H   UNL     1       6.072   4.889  -1.059  1.00  0.00           H  
HETATM   84  H   UNL     1       9.610   1.906  -0.410  1.00  0.00           H  
HETATM   85  H   UNL     1      12.728   0.334  -0.103  1.00  0.00           H  
HETATM   86  H   UNL     1      11.513   1.075  -1.173  1.00  0.00           H  
HETATM   87  H   UNL     1      11.561   1.507   0.553  1.00  0.00           H  
HETATM   88  H   UNL     1      11.444  -1.805   1.529  1.00  0.00           H  
HETATM   89  H   UNL     1      10.570  -2.478   0.132  1.00  0.00           H  
HETATM   90  H   UNL     1      12.236  -1.882  -0.064  1.00  0.00           H  
HETATM   91  H   UNL     1       3.031  -2.353   2.978  1.00  0.00           H  
HETATM   92  H   UNL     1       1.756  -3.395   1.156  1.00  0.00           H  
HETATM   93  H   UNL     1       5.181  -0.341   4.741  1.00  0.00           H  
CONECT    1   51    5   52                                            
CONECT    2    3   10   53   54                                       
CONECT    3    5    2   55   56                                       
CONECT    4   35   33   33   34                                       
CONECT    5    1    3   57   58                                       
CONECT    6   14   16                                                 
CONECT    7   16   17   59   60                                       
CONECT    8   29   28                                                 
CONECT    9   10   48   61   62                                       
CONECT   10    2    9   63   64                                       
CONECT   11   38   40   39                                            
CONECT   12   48   14   65   66                                       
CONECT   13   51   51                                                 
CONECT   14   12    6   67   68                                       
CONECT   15   51   51                                                 
CONECT   16    6    7   69   70                                       
CONECT   17    7   18   71                                            
CONECT   18   19   19   17   21                                       
CONECT   19   18   18                                                 
CONECT   20   45   47   46   51                                       
CONECT   21   18   44   44   22                                       
CONECT   22   21   23   23   72                                       
CONECT   23   22   22   41   24                                       
CONECT   24   23   30   30   25                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27   27   73                                       
CONECT   27   26   26   38   74                                       
CONECT   28   25   25    8   37                                       
CONECT   29   30   36   36    8                                       
CONECT   30   31   24   24   29                                       
CONECT   31   32   32   30   75                                       
CONECT   32   31   31   33   76                                       
CONECT   33   32    4    4   36                                       
CONECT   34    4   77   78   79                                       
CONECT   35    4   80   81   82                                       
CONECT   36   33   29   29   83                                       
CONECT   37   28   38   38   84                                       
CONECT   38   27   37   37   11                                       
CONECT   39   11   85   86   87                                       
CONECT   40   11   88   89   90                                       
CONECT   41   43   43   23   42                                       
CONECT   42   41   50   50   49                                       
CONECT   43   44   41   41   91                                       
CONECT   44   21   21   43   92                                       
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48    9   12                                                 
CONECT   49   42   93                                                 
CONECT   50   42   42                                                 
CONECT   51   15   15   20    1                                       
CONECT   51   13   13                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   22                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   49                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
