COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.604  -0.758   0.657  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.779  -0.176   0.625  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.720  -0.157  -0.548  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.840   1.271  -1.083  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.098  -0.652  -0.104  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.973  -0.747  -1.258  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.228  -1.169  -1.039  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.583  -1.451   0.081  1.00  0.00           O  
HETATM    9  C   UNL     1      -8.194  -1.293  -2.189  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.032   0.576   1.905  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.674   0.649   2.616  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.953   1.803   2.199  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.043  -0.644   2.049  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.412  -1.803   2.982  1.00  0.00           C  
HETATM   15  C   UNL     1       0.425  -0.413   1.942  1.00  0.00           C  
HETATM   16  C   UNL     1       1.339  -1.214   1.464  1.00  0.00           C  
HETATM   17  C   UNL     1       2.812  -0.805   1.539  1.00  0.00           C  
HETATM   18  C   UNL     1       3.108  -0.029   2.823  1.00  0.00           C  
HETATM   19  O   UNL     1       4.460   0.433   2.799  1.00  0.00           O  
HETATM   20  C   UNL     1       4.842   1.174   3.960  1.00  0.00           C  
HETATM   21  C   UNL     1       3.531  -2.155   1.573  1.00  0.00           C  
HETATM   22  C   UNL     1       2.431  -3.227   1.553  1.00  0.00           C  
HETATM   23  C   UNL     1       1.326  -2.508   0.733  1.00  0.00           C  
HETATM   24  C   UNL     1       0.198  -3.429   0.418  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.168  -4.354   1.585  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.028  -2.840  -0.224  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.206  -3.129   0.543  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.928  -1.368  -0.547  1.00  0.00           C  
HETATM   29  O   UNL     1       0.363  -0.850  -0.817  1.00  0.00           O  
HETATM   30  C   UNL     1       0.476  -0.205  -2.088  1.00  0.00           C  
HETATM   31  O   UNL     1       0.434   1.212  -1.908  1.00  0.00           O  
HETATM   32  C   UNL     1       1.464   1.723  -1.059  1.00  0.00           C  
HETATM   33  C   UNL     1       2.831   1.410  -1.672  1.00  0.00           C  
HETATM   34  O   UNL     1       3.864   1.869  -0.797  1.00  0.00           O  
HETATM   35  C   UNL     1       2.960  -0.104  -1.866  1.00  0.00           C  
HETATM   36  O   UNL     1       4.224  -0.404  -2.516  1.00  0.00           O  
HETATM   37  C   UNL     1       4.747  -1.621  -2.297  1.00  0.00           C  
HETATM   38  O   UNL     1       4.158  -2.416  -1.605  1.00  0.00           O  
HETATM   39  C   UNL     1       6.069  -1.995  -2.917  1.00  0.00           C  
HETATM   40  C   UNL     1       1.804  -0.596  -2.742  1.00  0.00           C  
HETATM   41  O   UNL     1       1.873  -2.017  -2.870  1.00  0.00           O  
HETATM   42  C   UNL     1       1.303   3.238  -0.918  1.00  0.00           C  
HETATM   43  O   UNL     1       0.063   3.527  -0.269  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.224   4.923  -0.160  1.00  0.00           C  
HETATM   45  C   UNL     1       0.807   5.585   0.756  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.163   5.567  -1.546  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.603   5.108   0.420  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.316   4.063   0.760  1.00  0.00           C  
HETATM   49  H   UNL     1      -3.336  -0.808  -1.333  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.900   1.564  -1.551  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.642   1.318  -1.819  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.062   1.950  -0.260  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.999  -1.635   0.359  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.521   0.048   0.617  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.698  -0.997  -3.113  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.531  -2.326  -2.272  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.052  -0.644  -2.014  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.384   1.580   1.680  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.749   0.042   2.518  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.779   0.585   3.689  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.396   2.638   2.403  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.350  -2.744   2.434  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.721  -1.826   3.824  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.429  -1.663   3.350  1.00  0.00           H  
HETATM   65  H   UNL     1       0.787   0.574   2.290  1.00  0.00           H  
HETATM   66  H   UNL     1       3.080  -0.232   0.656  1.00  0.00           H  
HETATM   67  H   UNL     1       2.434   0.824   2.896  1.00  0.00           H  
HETATM   68  H   UNL     1       2.963  -0.682   3.684  1.00  0.00           H  
HETATM   69  H   UNL     1       5.881   1.489   3.865  1.00  0.00           H  
HETATM   70  H   UNL     1       4.203   2.053   4.056  1.00  0.00           H  
HETATM   71  H   UNL     1       4.732   0.547   4.844  1.00  0.00           H  
HETATM   72  H   UNL     1       4.165  -2.262   0.696  1.00  0.00           H  
HETATM   73  H   UNL     1       4.119  -2.244   2.483  1.00  0.00           H  
HETATM   74  H   UNL     1       2.763  -4.114   1.035  1.00  0.00           H  
HETATM   75  H   UNL     1       2.089  -3.424   2.560  1.00  0.00           H  
HETATM   76  H   UNL     1       1.841  -2.305  -0.250  1.00  0.00           H  
HETATM   77  H   UNL     1       0.611  -4.147  -0.362  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.214  -3.775   2.507  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.138  -4.813   1.395  1.00  0.00           H  
HETATM   80  H   UNL     1       0.589  -5.133   1.682  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.181  -3.379  -1.197  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.020  -2.768   0.164  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.545  -1.162  -1.459  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.350  -0.515  -2.727  1.00  0.00           H  
HETATM   85  H   UNL     1       1.391   1.257  -0.077  1.00  0.00           H  
HETATM   86  H   UNL     1       2.921   1.911  -2.636  1.00  0.00           H  
HETATM   87  H   UNL     1       3.840   2.821  -0.626  1.00  0.00           H  
HETATM   88  H   UNL     1       2.922  -0.600  -0.897  1.00  0.00           H  
HETATM   89  H   UNL     1       6.446  -1.156  -3.503  1.00  0.00           H  
HETATM   90  H   UNL     1       6.783  -2.237  -2.129  1.00  0.00           H  
HETATM   91  H   UNL     1       5.935  -2.860  -3.565  1.00  0.00           H  
HETATM   92  H   UNL     1       1.873  -0.137  -3.728  1.00  0.00           H  
HETATM   93  H   UNL     1       1.166  -2.398  -3.409  1.00  0.00           H  
HETATM   94  H   UNL     1       2.125   3.637  -0.323  1.00  0.00           H  
HETATM   95  H   UNL     1       1.313   3.699  -1.906  1.00  0.00           H  
HETATM   96  H   UNL     1       1.804   5.451   0.336  1.00  0.00           H  
HETATM   97  H   UNL     1       0.588   6.650   0.840  1.00  0.00           H  
HETATM   98  H   UNL     1       0.764   5.127   1.744  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.898   5.095  -2.198  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.382   6.631  -1.462  1.00  0.00           H  
HETATM  101  H   UNL     1       0.834   5.433  -1.966  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.003   6.102   0.556  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.332   4.191   1.102  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.888   3.073   0.697  1.00  0.00           H  
CONECT    1    2    2   13   28                                       
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    5   49                                       
CONECT    4    3   50   51   52                                       
CONECT    5    3    6   53   54                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   55   56   57                                       
CONECT   10    2   11   58   59                                       
CONECT   11   10   12   13   60                                       
CONECT   12   11   61                                                 
CONECT   13    1   11   14   15                                       
CONECT   14   13   62   63   64                                       
CONECT   15   13   16   16   65                                       
CONECT   16   15   15   17   23                                       
CONECT   17   16   18   21   66                                       
CONECT   18   17   19   67   68                                       
CONECT   19   18   20                                                 
CONECT   20   19   69   70   71                                       
CONECT   21   17   22   72   73                                       
CONECT   22   21   23   74   75                                       
CONECT   23   16   22   24   76                                       
CONECT   24   23   25   26   77                                       
CONECT   25   24   78   79   80                                       
CONECT   26   24   27   28   81                                       
CONECT   27   26   82                                                 
CONECT   28    1   26   29   83                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   40   84                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   42   85                                       
CONECT   33   32   34   35   86                                       
CONECT   34   33   87                                                 
CONECT   35   33   36   40   88                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   89   90   91                                       
CONECT   40   30   35   41   92                                       
CONECT   41   40   93                                                 
CONECT   42   32   43   94   95                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   46   47                                       
CONECT   45   44   96   97   98                                       
CONECT   46   44   99  100  101                                       
CONECT   47   44   48   48  102                                       
CONECT   48   47   47  103  104                                       
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   30                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
