COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.942  -5.041  -0.095  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.459  -3.976   0.248  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.342  -3.815   0.977  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.991  -2.646  -0.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.108  -2.350  -0.794  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.573  -0.922  -0.913  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.803  -3.345  -1.410  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.003  -3.028  -2.188  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.052  -1.694   0.569  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.066  -2.470   1.192  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.039  -1.833   1.880  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.998  -0.455   1.943  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.002  -0.306   0.638  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.975   0.308   1.326  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.906   2.067   1.418  1.00  0.00           S  
HETATM   16  O   UNL     1      -4.233   2.531   1.215  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.142   2.378   2.576  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.023   2.591   0.120  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.693   2.901  -1.145  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.995   4.400  -1.209  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.581   4.744  -2.580  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.003   4.764  -0.117  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.570   2.746   0.236  1.00  0.00           C  
HETATM   24  C   UNL     1       0.120   1.478  -0.271  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.133   1.324  -1.669  1.00  0.00           O  
HETATM   26  C   UNL     1       1.627   1.588  -0.034  1.00  0.00           C  
HETATM   27  C   UNL     1       2.195   2.726  -0.886  1.00  0.00           C  
HETATM   28  C   UNL     1       3.655   2.915  -0.562  1.00  0.00           C  
HETATM   29  C   UNL     1       4.615   2.217  -1.269  1.00  0.00           C  
HETATM   30  C   UNL     1       5.954   2.390  -0.972  1.00  0.00           C  
HETATM   31  C   UNL     1       6.332   3.262   0.032  1.00  0.00           C  
HETATM   32  C   UNL     1       5.371   3.960   0.739  1.00  0.00           C  
HETATM   33  C   UNL     1       4.033   3.792   0.438  1.00  0.00           C  
HETATM   34  N   UNL     1       2.274   0.328  -0.409  1.00  0.00           N  
HETATM   35  C   UNL     1       3.452  -0.016   0.147  1.00  0.00           C  
HETATM   36  O   UNL     1       3.978   0.718   0.960  1.00  0.00           O  
HETATM   37  O   UNL     1       4.046  -1.174  -0.197  1.00  0.00           O  
HETATM   38  C   UNL     1       5.313  -1.480   0.442  1.00  0.00           C  
HETATM   39  C   UNL     1       6.180  -2.367  -0.473  1.00  0.00           C  
HETATM   40  C   UNL     1       5.343  -2.789  -1.708  1.00  0.00           C  
HETATM   41  C   UNL     1       5.877  -4.224  -1.949  1.00  0.00           C  
HETATM   42  O   UNL     1       6.106  -4.765  -0.639  1.00  0.00           O  
HETATM   43  C   UNL     1       6.317  -3.706   0.304  1.00  0.00           C  
HETATM   44  O   UNL     1       5.220  -3.706   1.242  1.00  0.00           O  
HETATM   45  C   UNL     1       5.088  -2.342   1.704  1.00  0.00           C  
HETATM   46  H   UNL     1      -2.797  -4.544   1.311  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.830  -0.342  -1.460  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.523  -0.892  -1.448  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.704  -0.498   0.083  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.504  -4.265  -1.334  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.420  -3.945  -2.603  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.740  -2.553  -1.542  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.740  -2.349  -3.000  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.272  -2.418   2.366  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.197   0.032   2.479  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.764   0.288   0.156  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.045   2.625  -1.977  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.625   2.340  -1.210  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.074   4.963  -1.056  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.502   4.181  -2.733  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.796   5.812  -2.625  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.863   4.485  -3.358  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.585   4.519   0.859  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.217   5.832  -0.163  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.923   4.201  -0.270  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.247   3.599  -0.360  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.305   2.911   1.280  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.270   0.613   0.266  1.00  0.00           H  
HETATM   69  H   UNL     1       0.187   2.059  -2.210  1.00  0.00           H  
HETATM   70  H   UNL     1       1.816   1.794   1.019  1.00  0.00           H  
HETATM   71  H   UNL     1       2.086   2.479  -1.942  1.00  0.00           H  
HETATM   72  H   UNL     1       1.653   3.646  -0.670  1.00  0.00           H  
HETATM   73  H   UNL     1       4.320   1.535  -2.053  1.00  0.00           H  
HETATM   74  H   UNL     1       6.705   1.844  -1.524  1.00  0.00           H  
HETATM   75  H   UNL     1       7.378   3.397   0.264  1.00  0.00           H  
HETATM   76  H   UNL     1       5.667   4.641   1.523  1.00  0.00           H  
HETATM   77  H   UNL     1       3.282   4.337   0.990  1.00  0.00           H  
HETATM   78  H   UNL     1       1.854  -0.258  -1.058  1.00  0.00           H  
HETATM   79  H   UNL     1       5.843  -0.562   0.697  1.00  0.00           H  
HETATM   80  H   UNL     1       7.132  -1.907  -0.738  1.00  0.00           H  
HETATM   81  H   UNL     1       4.278  -2.800  -1.476  1.00  0.00           H  
HETATM   82  H   UNL     1       5.550  -2.144  -2.562  1.00  0.00           H  
HETATM   83  H   UNL     1       5.134  -4.819  -2.480  1.00  0.00           H  
HETATM   84  H   UNL     1       6.808  -4.191  -2.515  1.00  0.00           H  
HETATM   85  H   UNL     1       7.286  -3.791   0.796  1.00  0.00           H  
HETATM   86  H   UNL     1       5.845  -2.122   2.456  1.00  0.00           H  
HETATM   87  H   UNL     1       4.090  -2.173   2.107  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3   10    2   46                                            
CONECT    4    9    5    5    2                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5   47   48   49                                       
CONECT    7    5    8   50                                            
CONECT    8    7   51   52   53                                       
CONECT    9   13   13   10    4                                       
CONECT   10   11   11    9    3                                       
CONECT   11   12   10   10   54                                       
CONECT   12   14   14   11   55                                       
CONECT   13   14    9    9   56                                       
CONECT   14   15   12   12   13                                       
CONECT   15   18   16   16   17                                       
CONECT   15   17   14                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   23   19   15                                            
CONECT   19   20   18   57   58                                       
CONECT   20   22   21   19   59                                       
CONECT   21   20   60   61   62                                       
CONECT   22   20   63   64   65                                       
CONECT   23   24   18   66   67                                       
CONECT   24   26   25   23   68                                       
CONECT   25   24   69                                                 
CONECT   26   34   27   24   70                                       
CONECT   27   28   26   71   72                                       
CONECT   28   33   33   29   27                                       
CONECT   29   30   30   28   73                                       
CONECT   30   31   29   29   74                                       
CONECT   31   32   32   30   75                                       
CONECT   32   31   31   33   76                                       
CONECT   33   32   28   28   77                                       
CONECT   34   35   26   78                                            
CONECT   35   37   36   36   34                                       
CONECT   36   35   35                                                 
CONECT   37   38   35                                                 
CONECT   38   45   39   37   79                                       
CONECT   39   43   38   40   80                                       
CONECT   40   39   41   81   82                                       
CONECT   41   42   40   83   84                                       
CONECT   42   43   41                                                 
CONECT   43   44   42   39   85                                       
CONECT   44   43   45                                                 
CONECT   45   44   38   86   87                                       
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
