COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.032   0.449  -0.119  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.751   2.121  -1.081  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.756   3.128  -0.503  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.168   2.493  -0.641  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.669   2.142  -2.609  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.025  -2.388  -1.509  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.237   0.825   1.019  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.411   0.718  -0.572  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.553  -2.005   1.939  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.406  -0.290  -1.151  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.054   0.362  -0.993  1.00  0.00           N  
HETATM   12  N   UNL     1      -6.025  -1.643  -0.740  1.00  0.00           N  
HETATM   13  S   UNL     1      -6.725  -2.331   0.594  1.00  0.00           S  
HETATM   14  O   UNL     1      -6.764  -3.720   0.292  1.00  0.00           O  
HETATM   15  O   UNL     1      -7.922  -1.589   0.785  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.783   0.127  -0.508  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.672   0.222   0.442  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.591  -1.066   1.264  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.354  -2.253   0.328  1.00  0.00           C  
HETATM   20  C   UNL     1       0.564  -0.964   2.261  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.904  -1.270   2.023  1.00  0.00           C  
HETATM   22  C   UNL     1       0.618   0.419  -0.311  1.00  0.00           C  
HETATM   23  O   UNL     1       0.743  -0.035  -1.429  1.00  0.00           O  
HETATM   24  N   UNL     1       1.633   1.099   0.257  1.00  0.00           N  
HETATM   25  C   UNL     1       1.706   1.641   1.634  1.00  0.00           C  
HETATM   26  C   UNL     1       2.933   1.468  -0.351  1.00  0.00           C  
HETATM   27  C   UNL     1       3.212   2.896   0.164  1.00  0.00           C  
HETATM   28  C   UNL     1       2.400   3.011   1.477  1.00  0.00           C  
HETATM   29  C   UNL     1       2.037   3.872   0.257  1.00  0.00           C  
HETATM   30  C   UNL     1       2.364   5.365   0.325  1.00  0.00           C  
HETATM   31  C   UNL     1       0.759   3.511  -0.503  1.00  0.00           C  
HETATM   32  C   UNL     1       4.015   0.524   0.107  1.00  0.00           C  
HETATM   33  O   UNL     1       3.848  -0.153   1.100  1.00  0.00           O  
HETATM   34  N   UNL     1       5.167   0.431  -0.586  1.00  0.00           N  
HETATM   35  C   UNL     1       6.218  -0.487  -0.141  1.00  0.00           C  
HETATM   36  B   UNL     1       7.379   0.332   0.526  1.00  0.00           B  
HETATM   37  C   UNL     1       6.764  -1.259  -1.344  1.00  0.00           C  
HETATM   38  C   UNL     1       7.861  -2.218  -0.879  1.00  0.00           C  
HETATM   39  C   UNL     1       8.537  -2.984  -2.028  1.00  0.00           C  
HETATM   40  C   UNL     1       7.328  -3.574  -0.389  1.00  0.00           C  
HETATM   41  C   UNL     1       8.530  -4.215  -1.107  1.00  0.00           C  
HETATM   42  O   UNL     1       7.650   1.659   0.098  1.00  0.00           O  
HETATM   43  O   UNL     1       8.160  -0.254   1.558  1.00  0.00           O  
HETATM   44  H   UNL     1      -4.815   3.113   0.586  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.747   2.863  -0.816  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.998   4.127  -0.865  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.411   3.492  -1.004  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.878   1.775  -1.054  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.227   2.478   0.447  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.911   3.141  -2.972  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.660   1.877  -2.922  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.378   1.424  -3.021  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.032  -2.183  -1.108  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.232  -3.455  -1.437  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.065  -2.079  -2.553  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.470   0.703   0.516  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.424  -0.929   2.057  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.937  -2.429   2.867  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.592  -2.462   1.703  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.407  -0.066  -0.780  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.398  -0.224  -2.239  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.891   0.062  -1.901  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.619  -0.169  -1.417  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.836   1.068   1.109  1.00  0.00           H  
HETATM   65  H   UNL     1       0.581  -2.108  -0.213  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.296  -3.171   0.913  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.177  -2.327  -0.382  1.00  0.00           H  
HETATM   68  H   UNL     1       0.371  -0.147   2.957  1.00  0.00           H  
HETATM   69  H   UNL     1       0.651  -1.899   2.814  1.00  0.00           H  
HETATM   70  H   UNL     1       1.492  -0.771   1.724  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.727  -1.343   1.312  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.847  -2.188   2.608  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.074  -0.424   2.689  1.00  0.00           H  
HETATM   74  H   UNL     1       0.705   1.768   2.046  1.00  0.00           H  
HETATM   75  H   UNL     1       2.299   0.985   2.270  1.00  0.00           H  
HETATM   76  H   UNL     1       2.859   1.463  -1.438  1.00  0.00           H  
HETATM   77  H   UNL     1       4.225   3.284   0.054  1.00  0.00           H  
HETATM   78  H   UNL     1       2.818   3.471   2.372  1.00  0.00           H  
HETATM   79  H   UNL     1       2.912   5.658  -0.570  1.00  0.00           H  
HETATM   80  H   UNL     1       1.438   5.937   0.389  1.00  0.00           H  
HETATM   81  H   UNL     1       2.975   5.564   1.206  1.00  0.00           H  
HETATM   82  H   UNL     1       0.375   2.560  -0.136  1.00  0.00           H  
HETATM   83  H   UNL     1       0.012   4.290  -0.347  1.00  0.00           H  
HETATM   84  H   UNL     1       0.981   3.428  -1.567  1.00  0.00           H  
HETATM   85  H   UNL     1       5.299   0.972  -1.380  1.00  0.00           H  
HETATM   86  H   UNL     1       5.805  -1.188   0.584  1.00  0.00           H  
HETATM   87  H   UNL     1       5.957  -1.827  -1.807  1.00  0.00           H  
HETATM   88  H   UNL     1       7.177  -0.558  -2.069  1.00  0.00           H  
HETATM   89  H   UNL     1       8.567  -1.752  -0.191  1.00  0.00           H  
HETATM   90  H   UNL     1       7.906  -3.095  -2.910  1.00  0.00           H  
HETATM   91  H   UNL     1       9.537  -2.621  -2.267  1.00  0.00           H  
HETATM   92  H   UNL     1       7.353  -3.688   0.694  1.00  0.00           H  
HETATM   93  H   UNL     1       6.365  -3.846  -0.821  1.00  0.00           H  
HETATM   94  H   UNL     1       8.288  -5.145  -1.622  1.00  0.00           H  
HETATM   95  H   UNL     1       9.418  -4.297  -0.480  1.00  0.00           H  
HETATM   96  H   UNL     1       7.067   1.971  -0.608  1.00  0.00           H  
HETATM   97  H   UNL     1       7.902  -1.159   1.780  1.00  0.00           H  
CONECT    1   16   11    7    7                                       
CONECT    2    8    4    3    5                                       
CONECT    3    2   44   45   46                                       
CONECT    4    2   47   48   49                                       
CONECT    5    2   50   51   52                                       
CONECT    6   12   53   54   55                                       
CONECT    7    1    1                                                 
CONECT    8    2   10   11   56                                       
CONECT    9   13   57   58   59                                       
CONECT   10    8   12   60   61                                       
CONECT   11    1    8   62                                            
CONECT   12    6   10   13                                            
CONECT   13    9   12   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16    1   17   63                                            
CONECT   17   16   18   22   64                                       
CONECT   18   17   20   21   19                                       
CONECT   19   18   65   66   67                                       
CONECT   20   18   68   69   70                                       
CONECT   21   18   71   72   73                                       
CONECT   22   17   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   26                                            
CONECT   25   24   28   74   75                                       
CONECT   26   24   32   27   76                                       
CONECT   27   26   28   29   77                                       
CONECT   28   25   27   29   78                                       
CONECT   29   27   28   31   30                                       
CONECT   30   29   79   80   81                                       
CONECT   31   29   82   83   84                                       
CONECT   32   26   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   85                                            
CONECT   35   34   37   36   86                                       
CONECT   36   35   42   43                                            
CONECT   37   35   38   87   88                                       
CONECT   38   37   39   40   89                                       
CONECT   39   38   41   90   91                                       
CONECT   40   38   41   92   93                                       
CONECT   41   39   40   94   95                                       
CONECT   42   36   96                                                 
CONECT   43   36   97                                                 
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
