COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.724  -0.713  -0.119  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.824  -2.050   0.006  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.972  -2.958  -0.840  1.00  0.00           C  
HETATM    4  N   UNL     1       0.421  -2.474  -0.811  1.00  0.00           N  
HETATM    5  C   UNL     1       1.349  -3.321  -0.280  1.00  0.00           C  
HETATM    6  O   UNL     1       2.634  -2.919  -0.241  1.00  0.00           O  
HETATM    7  C   UNL     1       3.597  -3.850   0.315  1.00  0.00           C  
HETATM    8  C   UNL     1       4.979  -3.192   0.349  1.00  0.00           C  
HETATM    9  C   UNL     1       5.894  -3.974   1.293  1.00  0.00           C  
HETATM   10  C   UNL     1       5.578  -3.191  -1.059  1.00  0.00           C  
HETATM   11  C   UNL     1       4.840  -1.753   0.848  1.00  0.00           C  
HETATM   12  C   UNL     1       6.229  -1.126   0.987  1.00  0.00           C  
HETATM   13  C   UNL     1       6.088   0.382   1.207  1.00  0.00           C  
HETATM   14  C   UNL     1       6.228   1.107  -0.132  1.00  0.00           C  
HETATM   15  C   UNL     1       5.976   2.581   0.056  1.00  0.00           C  
HETATM   16  C   UNL     1       4.615   3.144   0.312  1.00  0.00           C  
HETATM   17  C   UNL     1       3.405   2.317  -0.095  1.00  0.00           C  
HETATM   18  N   UNL     1       2.352   3.316  -0.406  1.00  0.00           N  
HETATM   19  C   UNL     1       1.038   3.035  -0.534  1.00  0.00           C  
HETATM   20  O   UNL     1       0.615   1.779  -0.292  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.763   1.458  -0.606  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.870  -0.002  -1.071  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.642   1.566   0.652  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.467   0.269   0.679  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.825   0.507   0.071  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.678   1.377   0.647  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.013   1.580   0.079  1.00  0.00           C  
HETATM   28  B   UNL     1      -6.672   0.163  -0.250  1.00  0.00           B1-
HETATM   29  O   UNL     1      -5.988  -0.821   0.407  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.977   0.162   0.159  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.888   2.328   1.087  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.075   2.963   0.359  1.00  0.00           C  
HETATM   33  O   UNL     1      -8.827   3.757   1.278  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.152  -0.085  -0.936  1.00  0.00           O  
HETATM   35  O   UNL     1       0.250   3.900  -0.862  1.00  0.00           O  
HETATM   36  C   UNL     1       2.982   4.651  -0.537  1.00  0.00           C  
HETATM   37  C   UNL     1       4.475   4.372  -0.636  1.00  0.00           C  
HETATM   38  C   UNL     1       5.430   5.402  -0.121  1.00  0.00           C  
HETATM   39  C   UNL     1       6.653   4.928   0.182  1.00  0.00           C  
HETATM   40  C   UNL     1       6.964   3.497   0.036  1.00  0.00           C  
HETATM   41  O   UNL     1       1.024  -4.411   0.149  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.031  -4.381  -0.281  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.480  -4.873  -0.289  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.174  -5.306  -1.148  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.498  -4.389   1.153  1.00  0.00           C  
HETATM   46  O   UNL     1      -2.603  -2.525   0.805  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.616  -0.064  -1.597  1.00  0.00           O  
HETATM   48  H   UNL     1       0.120  -0.457  -1.090  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.313  -0.040  -2.066  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.573  -0.086   1.704  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.339  -2.952  -1.866  1.00  0.00           H  
HETATM   52  H   UNL     1       0.665  -1.600  -1.153  1.00  0.00           H  
HETATM   53  H   UNL     1       3.299  -4.120   1.328  1.00  0.00           H  
HETATM   54  H   UNL     1       3.636  -4.746  -0.304  1.00  0.00           H  
HETATM   55  H   UNL     1       5.990  -5.001   0.939  1.00  0.00           H  
HETATM   56  H   UNL     1       6.878  -3.506   1.316  1.00  0.00           H  
HETATM   57  H   UNL     1       5.468  -3.974   2.296  1.00  0.00           H  
HETATM   58  H   UNL     1       4.926  -2.632  -1.731  1.00  0.00           H  
HETATM   59  H   UNL     1       6.562  -2.722  -1.035  1.00  0.00           H  
HETATM   60  H   UNL     1       5.673  -4.216  -1.415  1.00  0.00           H  
HETATM   61  H   UNL     1       4.251  -1.176   0.135  1.00  0.00           H  
HETATM   62  H   UNL     1       4.342  -1.750   1.817  1.00  0.00           H  
HETATM   63  H   UNL     1       6.745  -1.571   1.837  1.00  0.00           H  
HETATM   64  H   UNL     1       6.802  -1.308   0.078  1.00  0.00           H  
HETATM   65  H   UNL     1       5.109   0.597   1.636  1.00  0.00           H  
HETATM   66  H   UNL     1       6.866   0.724   1.889  1.00  0.00           H  
HETATM   67  H   UNL     1       7.235   0.959  -0.520  1.00  0.00           H  
HETATM   68  H   UNL     1       5.504   0.703  -0.840  1.00  0.00           H  
HETATM   69  H   UNL     1       7.989   3.180  -0.087  1.00  0.00           H  
HETATM   70  H   UNL     1       3.633   1.719  -0.978  1.00  0.00           H  
HETATM   71  H   UNL     1       2.629   5.150  -1.439  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.138   2.125  -1.380  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.020   1.637   1.544  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.302   2.431   0.579  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.407   1.870   1.438  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.933   2.165  -0.837  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.254   1.630   1.839  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.299   3.108   1.571  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.334  -1.711   0.253  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.089   0.219   1.118  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.718  -0.145  -1.945  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.709   3.593  -0.451  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.712   2.178  -0.049  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.597   4.191   0.885  1.00  0.00           H  
HETATM   85  H   UNL     1       5.160   6.441  -0.003  1.00  0.00           H  
HETATM   86  H   UNL     1       7.415   5.606   0.537  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.843  -4.914  -1.316  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.528  -5.868   0.153  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.099  -4.188   0.289  1.00  0.00           H  
HETATM   90  H   UNL     1       0.605  -4.723  -1.641  1.00  0.00           H  
HETATM   91  H   UNL     1       0.286  -6.069  -0.521  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.801  -5.783  -1.901  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.242  -3.953   1.819  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.293  -5.415   1.459  1.00  0.00           H  
HETATM   95  H   UNL     1       0.421  -3.805   1.202  1.00  0.00           H  
HETATM   96  H   UNL     1       4.524   3.455   1.355  1.00  0.00           H  
HETATM   97  H   UNL     1       3.089   1.675   0.727  1.00  0.00           H  
HETATM   98  H   UNL     1       2.767   5.259   0.342  1.00  0.00           H  
HETATM   99  H   UNL     1       4.739   4.099  -1.659  1.00  0.00           H  
CONECT    1    2   22   24                                            
CONECT    2    1    3   46   46                                       
CONECT    3    2    4   42   51                                       
CONECT    4    3    5   52                                            
CONECT    5    4    6   41   41                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   53   54                                       
CONECT    8    7    9   10   11                                       
CONECT    9    8   55   56   57                                       
CONECT   10    8   58   59   60                                       
CONECT   11    8   12   61   62                                       
CONECT   12   11   13   63   64                                       
CONECT   13   12   14   65   66                                       
CONECT   14   13   15   67   68                                       
CONECT   15   14   16   40   40                                       
CONECT   16   15   17   37   96                                       
CONECT   17   16   18   70   97                                       
CONECT   18   17   19   36                                            
CONECT   19   18   20   35   35                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   23   72                                       
CONECT   22    1   21   48   49                                       
CONECT   23   21   24   73   74                                       
CONECT   24    1   23   25   50                                       
CONECT   25   24   26   34   34                                       
CONECT   26   25   27   75                                            
CONECT   27   26   28   31   76                                       
CONECT   28   27   29   30   47                                       
CONECT   29   28   79                                                 
CONECT   30   28   80                                                 
CONECT   31   27   32   77   78                                       
CONECT   32   31   33   82   83                                       
CONECT   33   32   84                                                 
CONECT   34   25   25                                                 
CONECT   35   19   19                                                 
CONECT   36   18   37   71   98                                       
CONECT   37   16   36   38   99                                       
CONECT   38   37   39   39   85                                       
CONECT   39   38   38   40   86                                       
CONECT   40   15   15   39   69                                       
CONECT   41    5    5                                                 
CONECT   42    3   43   44   45                                       
CONECT   43   42   87   88   89                                       
CONECT   44   42   90   91   92                                       
CONECT   45   42   93   94   95                                       
CONECT   46    2    2                                                 
CONECT   47   28   81                                                 
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   40                                                      
CONECT   70   17                                                      
CONECT   71   36                                                      
CONECT   72   21                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   47                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   16                                                      
CONECT   97   17                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
