COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.540   0.332  -1.842  1.00  0.00           C  
HETATM    2  C   UNL     1       7.105   3.245   2.415  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.700  -0.227   0.393  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.557  -0.390  -0.576  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.127   1.327   0.635  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.275   0.421  -1.347  1.00  0.00           C  
HETATM    7  C   UNL     1       0.861  -0.396  -0.786  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.453   2.513  -0.088  1.00  0.00           C  
HETATM    9  C   UNL     1       3.040  -1.462  -1.015  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.018   2.948  -1.441  1.00  0.00           C  
HETATM   11  C   UNL     1       2.780  -2.969  -1.024  1.00  0.00           C  
HETATM   12  C   UNL     1       5.467   2.836   0.716  1.00  0.00           C  
HETATM   13  C   UNL     1       3.917  -3.687  -0.294  1.00  0.00           C  
HETATM   14  C   UNL     1       3.690  -5.217  -0.311  1.00  0.00           C  
HETATM   15  C   UNL     1       2.962  -5.443   1.032  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.416   2.450  -1.815  1.00  0.00           C  
HETATM   17  C   UNL     1       3.912  -3.328   1.176  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.666   4.353  -1.934  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.514  -2.651   0.967  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.373   1.987   0.036  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.769  -0.030   1.457  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.677   0.057  -0.869  1.00  0.00           C  
HETATM   23  C   UNL     1       5.119   2.395  -0.682  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.546  -1.232   1.537  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.242  -0.954   2.288  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.728  -1.094   2.498  1.00  0.00           C  
HETATM   27  C   UNL     1       6.785   2.840   1.132  1.00  0.00           C  
HETATM   28  C   UNL     1       0.109   1.915  -1.394  1.00  0.00           C  
HETATM   29  C   UNL     1       4.468   3.237   1.583  1.00  0.00           C  
HETATM   30  C   UNL     1       4.786   3.631   2.870  1.00  0.00           C  
HETATM   31  C   UNL     1       6.105   3.640   3.284  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.509   0.463   0.032  1.00  0.00           C  
HETATM   33  C   UNL     1       4.284  -1.153  -1.851  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.106   0.084   0.164  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.967  -0.467  -0.301  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.449   0.365  -0.445  1.00  0.00           N  
HETATM   37  N   UNL     1       1.885  -0.763  -1.582  1.00  0.00           N  
HETATM   38  N   UNL     1       4.870   0.952  -0.691  1.00  0.00           N  
HETATM   39  N   UNL     1       3.378  -4.330   1.895  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.272  -0.137  -0.474  1.00  0.00           N  
HETATM   41  O   UNL     1       4.075  -1.592  -3.195  1.00  0.00           O  
HETATM   42  O   UNL     1       4.330  -2.288   1.638  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.080   0.781   1.160  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.636  -1.201  -1.475  1.00  0.00           O  
HETATM   45  O   UNL     1       0.854  -0.723   0.382  1.00  0.00           O  
HETATM   46  O   UNL     1       4.454   0.969  -2.870  1.00  0.00           O  
HETATM   47  H   UNL     1       8.135   3.248   2.739  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.692   0.786   0.796  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.440   0.878   1.352  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.039   1.655   1.135  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.543   0.065  -2.341  1.00  0.00           H  
HETATM   52  H   UNL     1       0.123   3.213   0.518  1.00  0.00           H  
HETATM   53  H   UNL     1       3.200  -1.127   0.010  1.00  0.00           H  
HETATM   54  H   UNL     1       1.836  -3.178  -0.521  1.00  0.00           H  
HETATM   55  H   UNL     1       2.730  -3.323  -2.054  1.00  0.00           H  
HETATM   56  H   UNL     1       4.877  -3.437  -0.745  1.00  0.00           H  
HETATM   57  H   UNL     1       3.059  -5.508  -1.151  1.00  0.00           H  
HETATM   58  H   UNL     1       4.640  -5.752  -0.335  1.00  0.00           H  
HETATM   59  H   UNL     1       1.882  -5.422   0.884  1.00  0.00           H  
HETATM   60  H   UNL     1       3.265  -6.393   1.470  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.111   3.290  -1.820  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.387   1.997  -2.805  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.745   1.710  -1.086  1.00  0.00           H  
HETATM   64  H   UNL     1       0.087   4.790  -1.278  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.274   4.295  -2.949  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.560   4.976  -1.925  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.671  -2.749   0.282  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.404  -3.367   1.782  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.442  -2.849   0.432  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.540   2.275   0.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.188   2.338  -0.980  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.293   2.433   0.412  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.689   0.416   1.833  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.866  -1.115   1.454  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.936   0.259   2.098  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.492   0.408  -1.884  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.774  -1.028  -0.872  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.598   0.503  -0.493  1.00  0.00           H  
HETATM   79  H   UNL     1       4.224   2.920  -1.017  1.00  0.00           H  
HETATM   80  H   UNL     1       5.947   2.625  -1.352  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.404  -1.011   1.594  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.282   0.043   2.728  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.113  -1.694   3.077  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.618  -1.810   3.313  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.751  -0.083   2.904  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.657  -1.293   1.963  1.00  0.00           H  
HETATM   87  H   UNL     1       7.566   2.527   0.454  1.00  0.00           H  
HETATM   88  H   UNL     1       1.098   2.181  -1.769  1.00  0.00           H  
HETATM   89  H   UNL     1       3.438   3.235   1.258  1.00  0.00           H  
HETATM   90  H   UNL     1       4.005   3.944   3.547  1.00  0.00           H  
HETATM   91  H   UNL     1       6.354   3.956   4.286  1.00  0.00           H  
HETATM   92  H   UNL     1       5.144  -1.673  -1.429  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.987  -1.023  -1.096  1.00  0.00           H  
HETATM   94  H   UNL     1       1.856  -0.565  -2.531  1.00  0.00           H  
HETATM   95  H   UNL     1       4.943   0.442   0.131  1.00  0.00           H  
HETATM   96  H   UNL     1       3.279  -4.320   2.860  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.292  -0.693  -1.269  1.00  0.00           H  
HETATM   98  H   UNL     1       3.324  -1.170  -3.634  1.00  0.00           H  
CONECT    1   38   33   46   46                                       
CONECT    2   31   31   27   47                                       
CONECT    3   24   35    4   48                                       
CONECT    4    3   36   44   44                                       
CONECT    5    8   36   49   50                                       
CONECT    6   36   28    7   51                                       
CONECT    7   45   45    6   37                                       
CONECT    8    5   28   10   52                                       
CONECT    9   37   33   11   53                                       
CONECT   10    8   28   18   16                                       
CONECT   11    9   13   54   55                                       
CONECT   12   27   27   29   23                                       
CONECT   13   14   11   17   56                                       
CONECT   14   15   13   57   58                                       
CONECT   15   14   39   59   60                                       
CONECT   16   10   61   62   63                                       
CONECT   17   13   39   42   42                                       
CONECT   18   10   64   65   66                                       
CONECT   19   24   67   68   69                                       
CONECT   20   32   70   71   72                                       
CONECT   21   32   73   74   75                                       
CONECT   22   32   76   77   78                                       
CONECT   23   12   38   79   80                                       
CONECT   24   19   25    3   26                                       
CONECT   25   24   81   82   83                                       
CONECT   26   24   84   85   86                                       
CONECT   27    2   12   12   87                                       
CONECT   28    8   10    6   88                                       
CONECT   29   30   30   12   89                                       
CONECT   30   31   29   29   90                                       
CONECT   31    2    2   30   91                                       
CONECT   32   21   20   40   22                                       
CONECT   33   41    1    9   92                                       
CONECT   34   43   43   35   40                                       
CONECT   35    3   34   93                                            
CONECT   36    5    4    6                                            
CONECT   37    7    9   94                                            
CONECT   38   23    1   95                                            
CONECT   39   15   17   96                                            
CONECT   40   34   32   97                                            
CONECT   41   33   98                                                 
CONECT   42   17   17                                                 
CONECT   43   34   34                                                 
CONECT   44    4    4                                                 
CONECT   45    7    7                                                 
CONECT   46    1    1                                                 
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   33                                                      
CONECT   93   35                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
