COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.360  -1.278  -0.026  1.00  0.00           C  
HETATM    2  C   UNL     1       8.808  -2.506  -0.853  1.00  0.00           C  
HETATM    3  C   UNL     1       7.640  -3.441  -1.126  1.00  0.00           C  
HETATM    4  C   UNL     1       7.086  -4.232  -0.128  1.00  0.00           C  
HETATM    5  O   UNL     1       7.481  -4.273   1.177  1.00  0.00           O  
HETATM    6  C   UNL     1       6.558  -5.234   1.723  1.00  0.00           C  
HETATM    7  O   UNL     1       5.645  -5.766   0.744  1.00  0.00           O  
HETATM    8  C   UNL     1       6.037  -5.091  -0.371  1.00  0.00           C  
HETATM    9  C   UNL     1       5.483  -5.227  -1.626  1.00  0.00           C  
HETATM   10  C   UNL     1       4.354  -6.168  -1.865  1.00  0.00           C  
HETATM   11  C   UNL     1       6.019  -4.454  -2.656  1.00  0.00           C  
HETATM   12  O   UNL     1       5.494  -4.573  -3.913  1.00  0.00           O  
HETATM   13  C   UNL     1       6.123  -5.548  -4.701  1.00  0.00           C  
HETATM   14  O   UNL     1       7.060  -6.256  -4.357  1.00  0.00           O  
HETATM   15  C   UNL     1       5.478  -5.601  -6.054  1.00  0.00           C  
HETATM   16  C   UNL     1       7.080  -3.552  -2.413  1.00  0.00           C  
HETATM   17  C   UNL     1       7.677  -2.741  -3.542  1.00  0.00           C  
HETATM   18  C   UNL     1       9.228  -2.765  -3.308  1.00  0.00           C  
HETATM   19  N   UNL     1       9.560  -2.043  -2.058  1.00  0.00           N  
HETATM   20  S   UNL     1       6.979  -1.031  -3.734  1.00  0.00           S  
HETATM   21  C   UNL     1       5.328  -1.040  -2.926  1.00  0.00           C  
HETATM   22  C   UNL     1       5.194  -0.149  -1.645  1.00  0.00           C  
HETATM   23  C   UNL     1       6.067  -0.728  -0.512  1.00  0.00           C  
HETATM   24  O   UNL     1       5.630  -1.351   0.448  1.00  0.00           O  
HETATM   25  O   UNL     1       7.393  -0.510  -0.766  1.00  0.00           O  
HETATM   26  C   UNL     1       3.719  -0.106  -1.194  1.00  0.00           C  
HETATM   27  C   UNL     1       2.957  -1.284  -1.076  1.00  0.00           C  
HETATM   28  C   UNL     1       1.628  -1.246  -0.650  1.00  0.00           C  
HETATM   29  O   UNL     1       0.924  -2.408  -0.553  1.00  0.00           O  
HETATM   30  C   UNL     1       0.973  -3.093   0.697  1.00  0.00           C  
HETATM   31  C   UNL     1       1.035  -0.031  -0.328  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.262   0.021   0.084  1.00  0.00           O  
HETATM   33  C   UNL     1       1.773   1.145  -0.421  1.00  0.00           C  
HETATM   34  C   UNL     1       3.114   1.117  -0.836  1.00  0.00           C  
HETATM   35  C   UNL     1       3.870   2.415  -0.940  1.00  0.00           C  
HETATM   36  C   UNL     1       5.377   2.204  -0.973  1.00  0.00           C  
HETATM   37  N   UNL     1       5.701   1.202  -1.980  1.00  0.00           N  
HETATM   38  C   UNL     1      11.012  -1.984  -1.804  1.00  0.00           C  
HETATM   39  O   UNL     1      11.564  -3.219  -1.318  1.00  0.00           O  
HETATM   40  C   UNL     1      11.839  -1.571  -3.044  1.00  0.00           C  
HETATM   41  N   UNL     1      11.538  -2.543  -4.109  1.00  0.00           N  
HETATM   42  C   UNL     1      12.503  -2.529  -5.203  1.00  0.00           C  
HETATM   43  C   UNL     1      10.131  -2.371  -4.539  1.00  0.00           C  
HETATM   44  C   UNL     1       9.912  -0.987  -5.113  1.00  0.00           C  
HETATM   45  C   UNL     1       9.101  -0.791  -6.241  1.00  0.00           C  
HETATM   46  O   UNL     1       8.500  -1.850  -6.859  1.00  0.00           O  
HETATM   47  C   UNL     1       8.886   0.493  -6.740  1.00  0.00           C  
HETATM   48  O   UNL     1       8.079   0.674  -7.825  1.00  0.00           O  
HETATM   49  C   UNL     1       8.701   0.636  -9.106  1.00  0.00           C  
HETATM   50  C   UNL     1       9.489   1.589  -6.127  1.00  0.00           C  
HETATM   51  C   UNL     1       9.265   2.973  -6.643  1.00  0.00           C  
HETATM   52  C   UNL     1      10.331   1.401  -5.032  1.00  0.00           C  
HETATM   53  C   UNL     1      10.562   0.113  -4.529  1.00  0.00           C  
HETATM   54  C   UNL     1      11.594  -0.096  -3.449  1.00  0.00           C  
HETATM   55  H   UNL     1       7.961  -1.575   0.951  1.00  0.00           H  
HETATM   56  H   UNL     1       9.208  -0.616   0.178  1.00  0.00           H  
HETATM   57  H   UNL     1       9.488  -3.088  -0.217  1.00  0.00           H  
HETATM   58  H   UNL     1       7.130  -6.063   2.156  1.00  0.00           H  
HETATM   59  H   UNL     1       5.979  -4.752   2.519  1.00  0.00           H  
HETATM   60  H   UNL     1       4.365  -6.977  -1.123  1.00  0.00           H  
HETATM   61  H   UNL     1       3.385  -5.655  -1.803  1.00  0.00           H  
HETATM   62  H   UNL     1       4.411  -6.616  -2.866  1.00  0.00           H  
HETATM   63  H   UNL     1       4.421  -5.861  -5.951  1.00  0.00           H  
HETATM   64  H   UNL     1       5.968  -6.370  -6.659  1.00  0.00           H  
HETATM   65  H   UNL     1       5.592  -4.637  -6.557  1.00  0.00           H  
HETATM   66  H   UNL     1       7.474  -3.261  -4.487  1.00  0.00           H  
HETATM   67  H   UNL     1       9.492  -3.824  -3.133  1.00  0.00           H  
HETATM   68  H   UNL     1       5.010  -2.063  -2.741  1.00  0.00           H  
HETATM   69  H   UNL     1       4.637  -0.659  -3.691  1.00  0.00           H  
HETATM   70  H   UNL     1       3.390  -2.256  -1.295  1.00  0.00           H  
HETATM   71  H   UNL     1       1.813  -2.717   1.286  1.00  0.00           H  
HETATM   72  H   UNL     1       1.089  -4.166   0.521  1.00  0.00           H  
HETATM   73  H   UNL     1       0.042  -2.913   1.238  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.485   0.918   0.378  1.00  0.00           H  
HETATM   75  H   UNL     1       1.297   2.088  -0.165  1.00  0.00           H  
HETATM   76  H   UNL     1       3.544   2.931  -1.853  1.00  0.00           H  
HETATM   77  H   UNL     1       3.624   3.060  -0.088  1.00  0.00           H  
HETATM   78  H   UNL     1       5.874   3.147  -1.226  1.00  0.00           H  
HETATM   79  H   UNL     1       5.755   1.908   0.013  1.00  0.00           H  
HETATM   80  H   UNL     1       5.318   1.494  -2.880  1.00  0.00           H  
HETATM   81  H   UNL     1      11.197  -1.248  -1.012  1.00  0.00           H  
HETATM   82  H   UNL     1      11.384  -3.234  -0.369  1.00  0.00           H  
HETATM   83  H   UNL     1      12.896  -1.679  -2.762  1.00  0.00           H  
HETATM   84  H   UNL     1      13.455  -2.117  -4.859  1.00  0.00           H  
HETATM   85  H   UNL     1      12.131  -1.914  -6.028  1.00  0.00           H  
HETATM   86  H   UNL     1      12.672  -3.544  -5.572  1.00  0.00           H  
HETATM   87  H   UNL     1       9.932  -3.109  -5.329  1.00  0.00           H  
HETATM   88  H   UNL     1       8.208  -2.497  -6.200  1.00  0.00           H  
HETATM   89  H   UNL     1       9.539   1.337  -9.127  1.00  0.00           H  
HETATM   90  H   UNL     1       7.971   0.902  -9.875  1.00  0.00           H  
HETATM   91  H   UNL     1       9.071  -0.375  -9.292  1.00  0.00           H  
HETATM   92  H   UNL     1       8.218   3.101  -6.942  1.00  0.00           H  
HETATM   93  H   UNL     1       9.505   3.724  -5.881  1.00  0.00           H  
HETATM   94  H   UNL     1       9.904   3.181  -7.510  1.00  0.00           H  
HETATM   95  H   UNL     1      10.833   2.260  -4.596  1.00  0.00           H  
HETATM   96  H   UNL     1      12.542   0.297  -3.842  1.00  0.00           H  
HETATM   97  H   UNL     1      11.331   0.507  -2.572  1.00  0.00           H  
CONECT    1    2   25   55   56                                       
CONECT    2    1    3   19   57                                       
CONECT    3    2    4    4   16                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   58   59                                       
CONECT    7    6    8                                                 
CONECT    8    4    7    9    9                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   60   61   62                                       
CONECT   11    9   12   16   16                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   63   64   65                                       
CONECT   16    3   11   11   17                                       
CONECT   17   16   18   20   66                                       
CONECT   18   17   19   43   67                                       
CONECT   19    2   18   38                                            
CONECT   20   17   21                                                 
CONECT   21   20   22   68   69                                       
CONECT   22   21   23   26   37                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25    1   23                                                 
CONECT   26   22   27   27   34                                       
CONECT   27   26   26   28   70                                       
CONECT   28   27   29   31   31                                       
CONECT   29   28   30                                                 
CONECT   30   29   71   72   73                                       
CONECT   31   28   28   32   33                                       
CONECT   32   31   74                                                 
CONECT   33   31   34   34   75                                       
CONECT   34   26   33   33   35                                       
CONECT   35   34   36   76   77                                       
CONECT   36   35   37   78   79                                       
CONECT   37   22   36   80                                            
CONECT   38   19   39   40   81                                       
CONECT   39   38   82                                                 
CONECT   40   38   41   54   83                                       
CONECT   41   40   42   43                                            
CONECT   42   41   84   85   86                                       
CONECT   43   18   41   44   87                                       
CONECT   44   43   45   45   53                                       
CONECT   45   44   44   46   47                                       
CONECT   46   45   88                                                 
CONECT   47   45   48   50   50                                       
CONECT   48   47   49                                                 
CONECT   49   48   89   90   91                                       
CONECT   50   47   47   51   52                                       
CONECT   51   50   92   93   94                                       
CONECT   52   50   53   53   95                                       
CONECT   53   44   52   52   54                                       
CONECT   54   40   53   96   97                                       
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   46                                                      
CONECT   89   49                                                      
CONECT   90   49                                                      
CONECT   91   49                                                      
CONECT   92   51                                                      
CONECT   93   51                                                      
CONECT   94   51                                                      
CONECT   95   52                                                      
CONECT   96   54                                                      
CONECT   97   54                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
