COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.369   4.382   0.637  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.700   5.554   1.307  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.905   6.731   0.524  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.669   3.616  -0.276  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.283   2.541  -0.891  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.596   2.231  -0.592  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.296   2.997   0.321  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.681   4.069   0.940  1.00  0.00           C  
HETATM    9  S   UNL     1      -5.379   0.861  -1.376  1.00  0.00           S  
HETATM   10  O   UNL     1      -6.776   1.113  -1.324  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.674   0.637  -2.589  1.00  0.00           O  
HETATM   12  N   UNL     1      -5.108  -0.468  -0.425  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.055  -0.814   0.637  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.055  -1.847   0.113  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.965  -2.301   1.256  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.902  -1.219  -0.995  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.921  -1.298  -0.647  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.802  -0.849   0.294  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.189  -1.098   1.647  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.525  -1.630  -0.023  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.423  -1.118   0.797  1.00  0.00           N  
HETATM   22  C   UNL     1       0.850  -1.261   0.379  1.00  0.00           C  
HETATM   23  O   UNL     1       1.085  -1.814  -0.678  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.744  -3.112   0.286  1.00  0.00           C  
HETATM   25  C   UNL     1       0.507  -4.105   0.750  1.00  0.00           C  
HETATM   26  C   UNL     1       1.617  -4.831   0.360  1.00  0.00           C  
HETATM   27  C   UNL     1       1.689  -5.351  -0.918  1.00  0.00           C  
HETATM   28  C   UNL     1       0.651  -5.145  -1.808  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.459  -4.419  -1.418  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.531  -3.899  -0.140  1.00  0.00           C  
HETATM   31  C   UNL     1       1.962  -0.744   1.205  1.00  0.00           C  
HETATM   32  C   UNL     1       1.694  -0.108   2.420  1.00  0.00           C  
HETATM   33  C   UNL     1       2.731   0.375   3.193  1.00  0.00           C  
HETATM   34  C   UNL     1       4.039   0.233   2.772  1.00  0.00           C  
HETATM   35  C   UNL     1       4.320  -0.401   1.560  1.00  0.00           C  
HETATM   36  C   UNL     1       3.279  -0.896   0.777  1.00  0.00           C  
HETATM   37  C   UNL     1       5.721  -0.552   1.110  1.00  0.00           C  
HETATM   38  O   UNL     1       6.078  -1.580   0.568  1.00  0.00           O  
HETATM   39  N   UNL     1       6.601   0.450   1.301  1.00  0.00           N  
HETATM   40  C   UNL     1       6.200   1.645   2.048  1.00  0.00           C  
HETATM   41  C   UNL     1       7.960   0.345   0.762  1.00  0.00           C  
HETATM   42  C   UNL     1       7.993   0.919  -0.631  1.00  0.00           C  
HETATM   43  N   UNL     1       8.242   2.161  -0.934  1.00  0.00           N  
HETATM   44  C   UNL     1       8.186   2.298  -2.271  1.00  0.00           C  
HETATM   45  C   UNL     1       7.892   1.096  -2.792  1.00  0.00           C  
HETATM   46  O   UNL     1       7.777   0.234  -1.762  1.00  0.00           O  
HETATM   47  C   UNL     1       8.410   3.572  -3.044  1.00  0.00           C  
HETATM   48  H   UNL     1      -3.128   5.699   2.299  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.631   5.360   1.398  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.500   7.527   0.896  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.643   3.858  -0.510  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.736   1.942  -1.605  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.323   2.756   0.555  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.228   4.667   1.654  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.512  -1.232   1.486  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.589   0.082   0.953  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.515  -2.706  -0.285  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.505  -1.441   1.654  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.678  -3.036   0.883  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.361  -2.748   2.046  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.253  -0.895  -1.809  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.615  -1.954  -1.369  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.442  -0.360  -0.598  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.165  -2.341  -0.450  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.591  -1.190  -1.681  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.618   0.217   0.159  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.368  -2.028   1.840  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.278  -1.511  -1.078  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.610  -0.677   1.640  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.902  -3.241   1.357  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.618  -3.471  -0.256  1.00  0.00           H  
HETATM   72  H   UNL     1       0.449  -3.702   1.750  1.00  0.00           H  
HETATM   73  H   UNL     1       2.428  -4.992   1.055  1.00  0.00           H  
HETATM   74  H   UNL     1       2.556  -5.918  -1.222  1.00  0.00           H  
HETATM   75  H   UNL     1       0.708  -5.551  -2.807  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.270  -4.259  -2.113  1.00  0.00           H  
HETATM   77  H   UNL     1       0.674   0.006   2.754  1.00  0.00           H  
HETATM   78  H   UNL     1       2.519   0.866   4.131  1.00  0.00           H  
HETATM   79  H   UNL     1       4.845   0.614   3.381  1.00  0.00           H  
HETATM   80  H   UNL     1       3.492  -1.387  -0.161  1.00  0.00           H  
HETATM   81  H   UNL     1       6.344   1.472   3.114  1.00  0.00           H  
HETATM   82  H   UNL     1       6.810   2.492   1.732  1.00  0.00           H  
HETATM   83  H   UNL     1       5.150   1.860   1.852  1.00  0.00           H  
HETATM   84  H   UNL     1       8.648   0.900   1.400  1.00  0.00           H  
HETATM   85  H   UNL     1       8.258  -0.703   0.731  1.00  0.00           H  
HETATM   86  H   UNL     1       7.776   0.862  -3.840  1.00  0.00           H  
HETATM   87  H   UNL     1       9.467   3.663  -3.295  1.00  0.00           H  
HETATM   88  H   UNL     1       7.819   3.550  -3.960  1.00  0.00           H  
HETATM   89  H   UNL     1       8.107   4.424  -2.436  1.00  0.00           H  
CONECT    1    2    8    8    4                                       
CONECT    2    1    3   48   49                                       
CONECT    3    2   50                                                 
CONECT    4    1    5    5   51                                       
CONECT    5    4    4    6   52                                       
CONECT    6    7    7    5    9                                       
CONECT    7    8    6    6   53                                       
CONECT    8    1    1    7   54                                       
CONECT    9   10   10    6   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   17   13                                            
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   16   57                                       
CONECT   15   14   58   59   60                                       
CONECT   16   14   61   62   63                                       
CONECT   17   12   18   64   65                                       
CONECT   18   20   17   19   66                                       
CONECT   19   18   67                                                 
CONECT   20   24   21   18   68                                       
CONECT   21   20   22   69                                            
CONECT   22   21   23   23   31                                       
CONECT   23   22   22                                                 
CONECT   24   30   20   70   71                                       
CONECT   25   26   26   30   72                                       
CONECT   26   27   25   25   73                                       
CONECT   27   28   28   26   74                                       
CONECT   28   27   27   29   75                                       
CONECT   29   28   30   30   76                                       
CONECT   30   29   29   25   24                                       
CONECT   31   36   22   32   32                                       
CONECT   32   31   31   33   77                                       
CONECT   33   34   34   32   78                                       
CONECT   34   35   33   33   79                                       
CONECT   35   37   36   36   34                                       
CONECT   36   35   35   31   80                                       
CONECT   37   39   38   38   35                                       
CONECT   38   37   37                                                 
CONECT   39   41   40   37                                            
CONECT   40   39   81   82   83                                       
CONECT   41   42   39   84   85                                       
CONECT   42   46   43   43   41                                       
CONECT   43   44   42   42                                            
CONECT   44   45   45   47   43                                       
CONECT   45   46   44   44   86                                       
CONECT   46   45   42                                                 
CONECT   47   44   87   88   89                                       
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   45                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
