COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.215   2.290  -1.012  1.00  0.00           O  
HETATM    2  C   UNL     1       3.670  -2.551  -0.689  1.00  0.00           C  
HETATM    3  O   UNL     1       4.955  -2.952  -0.660  1.00  0.00           O  
HETATM    4  C   UNL     1       5.950  -1.994  -0.221  1.00  0.00           C  
HETATM    5  C   UNL     1       7.352  -2.511  -0.562  1.00  0.00           C  
HETATM    6  C   UNL     1       8.059  -2.839   0.756  1.00  0.00           C  
HETATM    7  C   UNL     1       7.114  -2.487   1.907  1.00  0.00           C  
HETATM    8  C   UNL     1       5.877  -1.814   1.299  1.00  0.00           C  
HETATM    9  C   UNL     1       5.892  -0.324   1.642  1.00  0.00           C  
HETATM   10  C   UNL     1       4.744   0.391   0.929  1.00  0.00           C  
HETATM   11  C   UNL     1       5.189   1.800   0.534  1.00  0.00           C  
HETATM   12  C   UNL     1       4.017   2.553  -0.105  1.00  0.00           C  
HETATM   13  C   UNL     1       3.037   2.995   0.982  1.00  0.00           C  
HETATM   14  C   UNL     1       2.065   3.994   0.410  1.00  0.00           C  
HETATM   15  N   UNL     1       2.086   5.232   0.836  1.00  0.00           N  
HETATM   16  C   UNL     1       1.244   6.149   0.351  1.00  0.00           C  
HETATM   17  C   UNL     1       1.291   7.482   0.797  1.00  0.00           C  
HETATM   18  C   UNL     1       0.416   8.394   0.292  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.530   8.030  -0.664  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.603   6.751  -1.125  1.00  0.00           C  
HETATM   21  C   UNL     1       0.289   5.785  -0.631  1.00  0.00           C  
HETATM   22  C   UNL     1       0.260   4.457  -1.096  1.00  0.00           C  
HETATM   23  C   UNL     1       1.164   3.572  -0.574  1.00  0.00           C  
HETATM   24  O   UNL     1       3.366  -1.429  -0.336  1.00  0.00           O  
HETATM   25  C   UNL     1       1.174  -1.788  -2.039  1.00  0.00           C  
HETATM   26  C   UNL     1       1.317  -2.976  -1.123  1.00  0.00           C  
HETATM   27  N   UNL     1       2.720  -3.418  -1.118  1.00  0.00           N  
HETATM   28  O   UNL     1       1.706  -1.799  -3.129  1.00  0.00           O  
HETATM   29  C   UNL     1       0.901  -2.580   0.296  1.00  0.00           C  
HETATM   30  C   UNL     1       2.075  -1.905   1.034  1.00  0.00           C  
HETATM   31  C   UNL     1       2.011  -2.385   2.494  1.00  0.00           C  
HETATM   32  C   UNL     1       0.800  -3.336   2.592  1.00  0.00           C  
HETATM   33  C   UNL     1       0.595  -3.840   1.142  1.00  0.00           C  
HETATM   34  N   UNL     1       0.459  -0.717  -1.653  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.300  -0.587  -0.404  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.597  -1.347  -0.516  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.039  -1.635  -1.608  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.591   0.902  -0.168  1.00  0.00           C  
HETATM   39  C   UNL     1       0.000   1.644  -1.383  1.00  0.00           C  
HETATM   40  C   UNL     1       0.318   0.537  -2.415  1.00  0.00           C  
HETATM   41  N   UNL     1      -2.265  -1.708   0.598  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.457  -2.553   0.495  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.301  -3.915  -0.185  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.488  -3.834   1.331  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.461  -4.420  -1.004  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.302  -4.670  -2.280  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.758  -1.820   0.295  1.00  0.00           C  
HETATM   48  O   UNL     1      -5.798  -2.440   0.223  1.00  0.00           O  
HETATM   49  N   UNL     1      -4.766  -0.476   0.196  1.00  0.00           N  
HETATM   50  S   UNL     1      -6.205   0.338   0.100  1.00  0.00           S  
HETATM   51  O   UNL     1      -5.828   1.703  -0.017  1.00  0.00           O  
HETATM   52  O   UNL     1      -6.910  -0.319  -0.944  1.00  0.00           O  
HETATM   53  C   UNL     1      -7.006   0.033   1.699  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.153   1.220   2.653  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.381   0.662   1.931  1.00  0.00           C  
HETATM   56  H   UNL     1       5.785  -1.035  -0.711  1.00  0.00           H  
HETATM   57  H   UNL     1       7.275  -3.409  -1.174  1.00  0.00           H  
HETATM   58  H   UNL     1       7.908  -1.743  -1.100  1.00  0.00           H  
HETATM   59  H   UNL     1       8.301  -3.901   0.789  1.00  0.00           H  
HETATM   60  H   UNL     1       8.974  -2.251   0.838  1.00  0.00           H  
HETATM   61  H   UNL     1       6.819  -3.395   2.434  1.00  0.00           H  
HETATM   62  H   UNL     1       7.608  -1.802   2.595  1.00  0.00           H  
HETATM   63  H   UNL     1       4.977  -2.282   1.691  1.00  0.00           H  
HETATM   64  H   UNL     1       5.782  -0.199   2.719  1.00  0.00           H  
HETATM   65  H   UNL     1       6.840   0.111   1.325  1.00  0.00           H  
HETATM   66  H   UNL     1       4.468  -0.167   0.035  1.00  0.00           H  
HETATM   67  H   UNL     1       3.885   0.455   1.597  1.00  0.00           H  
HETATM   68  H   UNL     1       5.523   2.337   1.421  1.00  0.00           H  
HETATM   69  H   UNL     1       6.010   1.735  -0.180  1.00  0.00           H  
HETATM   70  H   UNL     1       4.393   3.429  -0.633  1.00  0.00           H  
HETATM   71  H   UNL     1       3.506   1.897  -0.809  1.00  0.00           H  
HETATM   72  H   UNL     1       2.490   2.127   1.352  1.00  0.00           H  
HETATM   73  H   UNL     1       3.588   3.453   1.804  1.00  0.00           H  
HETATM   74  H   UNL     1       2.018   7.780   1.538  1.00  0.00           H  
HETATM   75  H   UNL     1       0.455   9.416   0.639  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.215   8.773  -1.046  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.342   6.481  -1.864  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.455   4.146  -1.843  1.00  0.00           H  
HETATM   79  H   UNL     1       0.680  -3.787  -1.476  1.00  0.00           H  
HETATM   80  H   UNL     1       2.960  -4.310  -1.414  1.00  0.00           H  
HETATM   81  H   UNL     1       0.036  -1.917   0.267  1.00  0.00           H  
HETATM   82  H   UNL     1       3.021  -2.204   0.583  1.00  0.00           H  
HETATM   83  H   UNL     1       1.968  -0.821   0.993  1.00  0.00           H  
HETATM   84  H   UNL     1       2.926  -2.918   2.752  1.00  0.00           H  
HETATM   85  H   UNL     1       1.872  -1.535   3.162  1.00  0.00           H  
HETATM   86  H   UNL     1       1.023  -4.170   3.258  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.082  -2.797   2.939  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.434  -4.168   0.989  1.00  0.00           H  
HETATM   89  H   UNL     1       1.295  -4.642   0.909  1.00  0.00           H  
HETATM   90  H   UNL     1       0.287  -0.982   0.426  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.667   1.071  -0.111  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.109   1.240   0.749  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.716   2.344  -1.793  1.00  0.00           H  
HETATM   94  H   UNL     1       1.249   0.766  -2.934  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.498   0.449  -3.132  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.957  -1.407   1.467  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.312  -4.181  -0.557  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.622  -4.048   1.957  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.450  -4.147   1.737  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.423  -4.577  -0.538  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.341  -4.513  -2.746  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.134  -5.032  -2.867  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.930   0.014   0.182  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.820  -0.947   2.138  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.063   1.021   3.721  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.767   2.184   2.320  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.804   1.260   1.124  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.099   0.097   2.525  1.00  0.00           H  
CONECT    1   23   39                                                 
CONECT    2   24   24    3   27                                       
CONECT    3    4    2                                                 
CONECT    4    8    5    3   56                                       
CONECT    5    6    4   57   58                                       
CONECT    6    7    5   59   60                                       
CONECT    7    6    8   61   62                                       
CONECT    8    9    7    4   63                                       
CONECT    9   10    8   64   65                                       
CONECT   10   11    9   66   67                                       
CONECT   11   12   10   68   69                                       
CONECT   12   11   13   70   71                                       
CONECT   13   12   14   72   73                                       
CONECT   14   15   13   23   23                                       
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   21                                       
CONECT   17   18   18   16   74                                       
CONECT   18   17   17   19   75                                       
CONECT   19   18   20   20   76                                       
CONECT   20   19   19   21   77                                       
CONECT   21   16   20   22   22                                       
CONECT   22   21   21   23   78                                       
CONECT   23   14   14   22    1                                       
CONECT   24    2    2                                                 
CONECT   25   28   28   34   26                                       
CONECT   26   25   27   29   79                                       
CONECT   27    2   26   80                                            
CONECT   28   25   25                                                 
CONECT   29   26   30   33   81                                       
CONECT   30   29   31   82   83                                       
CONECT   31   30   32   84   85                                       
CONECT   32   33   31   86   87                                       
CONECT   33   29   32   88   89                                       
CONECT   34   35   25   40                                            
CONECT   35   38   34   36   90                                       
CONECT   36   35   41   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   39   35   91   92                                       
CONECT   39    1   38   40   93                                       
CONECT   40   39   34   94   95                                       
CONECT   41   36   42   96                                            
CONECT   42   41   44   43   47                                       
CONECT   43   44   42   45   97                                       
CONECT   44   42   43   98   99                                       
CONECT   45   43   46   46  100                                       
CONECT   46   45   45  101  102                                       
CONECT   47   42   49   48   48                                       
CONECT   48   47   47                                                 
CONECT   49   50   47  103                                            
CONECT   50   51   51   49   53                                       
CONECT   50   52   52                                                 
CONECT   51   50   50                                                 
CONECT   52   50   50                                                 
CONECT   53   50   55   54  104                                       
CONECT   54   53   55  105  106                                       
CONECT   55   53   54  107  108                                       
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   22                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   35                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   49                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   54                                                      
CONECT  107   55                                                      
CONECT  108   55                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
