COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.862  -0.210  -1.503  1.00  0.00           O  
HETATM    2  C   UNL     1       6.287  -0.088  -0.371  1.00  0.00           C  
HETATM    3  C   UNL     1       7.572   0.605  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       8.062   0.747   1.164  1.00  0.00           C  
HETATM    5  C   UNL     1       9.262   1.394   1.381  1.00  0.00           C  
HETATM    6  O   UNL     1      10.210   2.269  -2.024  1.00  0.00           O  
HETATM    7  C   UNL     1      11.442   2.925  -1.715  1.00  0.00           C  
HETATM    8  C   UNL     1       9.981   1.903   0.315  1.00  0.00           C  
HETATM    9  C   UNL     1       9.500   1.766  -0.980  1.00  0.00           C  
HETATM   10  C   UNL     1       8.301   1.114  -1.210  1.00  0.00           C  
HETATM   11  N   UNL     1       5.585  -0.578   0.670  1.00  0.00           N  
HETATM   12  C   UNL     1       4.309  -1.259   0.436  1.00  0.00           C  
HETATM   13  C   UNL     1       4.021  -2.220   1.594  1.00  0.00           C  
HETATM   14  O   UNL     1       4.021  -1.497   2.826  1.00  0.00           O  
HETATM   15  C   UNL     1       2.651  -2.868   1.381  1.00  0.00           C  
HETATM   16  C   UNL     1       2.330  -3.784   2.563  1.00  0.00           C  
HETATM   17  O   UNL     1       1.106  -4.477   2.311  1.00  0.00           O  
HETATM   18  O   UNL     1       1.654  -1.849   1.283  1.00  0.00           O  
HETATM   19  C   UNL     1       3.183  -0.224   0.355  1.00  0.00           C  
HETATM   20  O   UNL     1       3.403   0.634  -0.767  1.00  0.00           O  
HETATM   21  C   UNL     1       1.844  -0.949   0.190  1.00  0.00           C  
HETATM   22  S   UNL     1       0.498   0.266   0.164  1.00  0.00           S  
HETATM   23  C   UNL     1      -0.963  -0.752  -0.186  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.220   0.119  -0.118  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.369   0.641   1.204  1.00  0.00           O  
HETATM   26  S   UNL     1      -2.273   2.158   1.285  1.00  0.00           S  
HETATM   27  O   UNL     1      -3.563   2.722   0.707  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.274   2.486   2.668  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.233   2.542   0.396  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.847  -1.318  -1.493  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.939  -2.163  -1.862  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.695  -2.732  -3.261  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.549  -3.586  -3.234  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.236  -1.349  -1.861  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.147  -0.308  -2.836  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.442  -0.734  -0.474  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.641   0.109  -0.484  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.840  -0.422  -0.176  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.928  -1.600   0.112  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.050   0.428  -0.187  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.953   1.779  -0.522  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.084   2.570  -0.531  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.315   2.027  -0.209  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.421   0.684   0.126  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.293  -0.119   0.132  1.00  0.00           C  
HETATM   46  O   UNL     1     -10.633   0.157   0.443  1.00  0.00           O  
HETATM   47  C   UNL     1     -11.754   1.042   0.410  1.00  0.00           C  
HETATM   48  H   UNL     1       7.503   0.352   1.999  1.00  0.00           H  
HETATM   49  H   UNL     1       9.640   1.503   2.387  1.00  0.00           H  
HETATM   50  H   UNL     1      12.111   2.225  -1.216  1.00  0.00           H  
HETATM   51  H   UNL     1      11.906   3.278  -2.636  1.00  0.00           H  
HETATM   52  H   UNL     1      11.247   3.773  -1.058  1.00  0.00           H  
HETATM   53  H   UNL     1      10.919   2.408   0.491  1.00  0.00           H  
HETATM   54  H   UNL     1       7.928   1.003  -2.217  1.00  0.00           H  
HETATM   55  H   UNL     1       5.924  -0.481   1.573  1.00  0.00           H  
HETATM   56  H   UNL     1       4.359  -1.817  -0.499  1.00  0.00           H  
HETATM   57  H   UNL     1       4.790  -2.993   1.625  1.00  0.00           H  
HETATM   58  H   UNL     1       3.845  -2.045   3.603  1.00  0.00           H  
HETATM   59  H   UNL     1       2.664  -3.453   0.461  1.00  0.00           H  
HETATM   60  H   UNL     1       3.136  -4.507   2.692  1.00  0.00           H  
HETATM   61  H   UNL     1       2.230  -3.187   3.469  1.00  0.00           H  
HETATM   62  H   UNL     1       0.840  -5.077   3.021  1.00  0.00           H  
HETATM   63  H   UNL     1       3.166   0.369   1.269  1.00  0.00           H  
HETATM   64  H   UNL     1       2.726   1.315  -0.879  1.00  0.00           H  
HETATM   65  H   UNL     1       1.847  -1.509  -0.746  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.034  -1.551   0.551  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.132   0.942  -0.827  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.023  -2.981  -1.146  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.567  -3.303  -3.578  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.522  -1.914  -3.960  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.335  -3.983  -4.090  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.076  -2.001  -2.100  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.010  -0.626  -3.739  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.561  -1.527   0.265  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.571   1.048  -0.714  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.994   2.206  -0.774  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.008   3.615  -0.791  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.197   2.651  -0.217  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.375  -1.166   0.389  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.595   1.856   1.118  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.866   1.450  -0.594  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.657   0.495   0.683  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.606   3.688   0.711  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   11    3                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4    8    8   49                                       
CONECT    6    9    7                                                 
CONECT    7    6   50   51   52                                       
CONECT    8    5    5    9   53                                       
CONECT    9   10   10    8    6                                       
CONECT   10    3    9    9   54                                       
CONECT   11   12    2   55                                            
CONECT   12   13   19   11   56                                       
CONECT   13   15   14   12   57                                       
CONECT   14   13   58                                                 
CONECT   15   16   18   13   59                                       
CONECT   16   17   15   60   61                                       
CONECT   17   16   62                                                 
CONECT   18   15   21                                                 
CONECT   19   21   12   20   63                                       
CONECT   20   19   64                                                 
CONECT   21   18   22   19   65                                       
CONECT   22   23   21                                                 
CONECT   23   24   22   30   66                                       
CONECT   24   25   36   23   67                                       
CONECT   25   26   24                                                 
CONECT   26   28   28   25   29                                       
CONECT   26   29   27                                                 
CONECT   27   26   83                                                 
CONECT   28   26   26                                                 
CONECT   29   26   26                                                 
CONECT   30   23   31                                                 
CONECT   31   34   30   32   68                                       
CONECT   32   31   33   69   70                                       
CONECT   33   32   71                                                 
CONECT   34   36   31   35   72                                       
CONECT   35   34   73                                                 
CONECT   36   37   24   34   74                                       
CONECT   37   38   36   75                                            
CONECT   38   39   39   40   37                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   45   45                                       
CONECT   41   42   42   40   76                                       
CONECT   42   41   41   43   77                                       
CONECT   43   42   44   44   78                                       
CONECT   44   43   43   45   46                                       
CONECT   45   40   40   44   79                                       
CONECT   46   44   47                                                 
CONECT   47   46   80   81   82                                       
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   45                                                      
CONECT   80   47                                                      
CONECT   81   47                                                      
CONECT   82   47                                                      
CONECT   83   27                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
