COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.829   1.837   0.331  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.123   3.126  -0.353  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.523   7.371  -2.782  1.00  0.00           C  
HETATM    4  C   UNL     1       0.776   6.605  -2.174  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.141   1.804   0.221  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.552  -0.168   1.516  1.00  0.00           C  
HETATM    7  C   UNL     1       7.536  -4.123  -1.012  1.00  0.00           C  
HETATM    8  C   UNL     1       6.135  -4.726  -1.130  1.00  0.00           C  
HETATM    9  C   UNL     1       5.944  -5.301  -2.535  1.00  0.00           C  
HETATM   10  C   UNL     1       5.972  -5.842  -0.096  1.00  0.00           C  
HETATM   11  C   UNL     1       5.105  -3.655  -0.881  1.00  0.00           C  
HETATM   12  C   UNL     1       4.210  -3.786   0.164  1.00  0.00           C  
HETATM   13  C   UNL     1       3.265  -2.804   0.393  1.00  0.00           C  
HETATM   14  C   UNL     1       3.214  -1.691  -0.425  1.00  0.00           C  
HETATM   15  C   UNL     1       2.183  -0.620  -0.176  1.00  0.00           C  
HETATM   16  C   UNL     1       3.675   1.274   0.050  1.00  0.00           C  
HETATM   17  C   UNL     1       1.659   1.154   1.387  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.598   4.520  -0.581  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.680   6.678  -1.710  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.760   7.473  -0.405  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.579   3.198   0.111  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.037   1.110   1.412  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.173  -0.754   0.423  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.306  -2.552  -0.643  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.804  -3.943  -0.346  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.083  -4.130   0.145  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.539  -5.406   0.418  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.717  -6.495   0.200  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.438  -6.309  -0.291  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.984  -5.033  -0.570  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.281  -0.054  -0.770  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.764   1.224  -0.868  1.00  0.00           C  
HETATM   33  C   UNL     1       2.270   2.206   2.314  1.00  0.00           C  
HETATM   34  C   UNL     1       3.066   1.511   3.421  1.00  0.00           C  
HETATM   35  C   UNL     1       3.809   2.559   4.251  1.00  0.00           C  
HETATM   36  C   UNL     1       2.109   0.730   4.323  1.00  0.00           C  
HETATM   37  C   UNL     1       4.108  -1.559  -1.470  1.00  0.00           C  
HETATM   38  C   UNL     1       5.057  -2.539  -1.695  1.00  0.00           C  
HETATM   39  N   UNL     1       2.733   0.385   0.744  1.00  0.00           N  
HETATM   40  N   UNL     1      -0.315   2.462   0.673  1.00  0.00           N  
HETATM   41  N   UNL     1      -1.190   5.322  -1.488  1.00  0.00           N  
HETATM   42  O   UNL     1       0.356   4.920   0.051  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.680  -2.011   0.522  1.00  0.00           O  
HETATM   44  O   UNL     1       1.192   1.828  -0.826  1.00  0.00           O  
HETATM   45  H   UNL     1      -1.065   2.559  -1.283  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.466   6.805  -3.712  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.560   7.423  -2.451  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.144   8.379  -2.947  1.00  0.00           H  
HETATM   49  H   UNL     1       1.156   7.614  -2.339  1.00  0.00           H  
HETATM   50  H   UNL     1       1.377   6.112  -1.411  1.00  0.00           H  
HETATM   51  H   UNL     1       0.834   6.039  -3.104  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.470  -0.709   2.447  1.00  0.00           H  
HETATM   53  H   UNL     1       7.672  -3.713  -0.011  1.00  0.00           H  
HETATM   54  H   UNL     1       8.282  -4.897  -1.192  1.00  0.00           H  
HETATM   55  H   UNL     1       7.653  -3.328  -1.749  1.00  0.00           H  
HETATM   56  H   UNL     1       6.690  -6.075  -2.716  1.00  0.00           H  
HETATM   57  H   UNL     1       4.946  -5.731  -2.620  1.00  0.00           H  
HETATM   58  H   UNL     1       6.061  -4.506  -3.272  1.00  0.00           H  
HETATM   59  H   UNL     1       6.108  -5.432   0.905  1.00  0.00           H  
HETATM   60  H   UNL     1       4.973  -6.272  -0.181  1.00  0.00           H  
HETATM   61  H   UNL     1       6.717  -6.616  -0.276  1.00  0.00           H  
HETATM   62  H   UNL     1       4.250  -4.656   0.803  1.00  0.00           H  
HETATM   63  H   UNL     1       2.566  -2.907   1.210  1.00  0.00           H  
HETATM   64  H   UNL     1       1.919  -0.143  -1.120  1.00  0.00           H  
HETATM   65  H   UNL     1       1.293  -1.068   0.266  1.00  0.00           H  
HETATM   66  H   UNL     1       3.141   1.850  -0.706  1.00  0.00           H  
HETATM   67  H   UNL     1       4.130   1.954   0.771  1.00  0.00           H  
HETATM   68  H   UNL     1       4.452   0.678  -0.428  1.00  0.00           H  
HETATM   69  H   UNL     1       1.028   0.481   1.967  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.381   8.481  -0.570  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.797   7.524  -0.075  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.159   6.979   0.359  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.626   3.687   1.084  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.162   3.769  -0.611  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.553   1.567   2.263  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.584  -2.591  -1.459  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.146  -1.920  -0.931  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.725  -3.278   0.316  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.538  -5.551   0.802  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.073  -7.492   0.414  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.797  -7.160  -0.466  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.985  -4.887  -0.954  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.764  -0.508  -1.622  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.848   1.769  -1.796  1.00  0.00           H  
HETATM   85  H   UNL     1       2.934   2.854   1.742  1.00  0.00           H  
HETATM   86  H   UNL     1       1.475   2.804   2.760  1.00  0.00           H  
HETATM   87  H   UNL     1       3.786   0.825   2.974  1.00  0.00           H  
HETATM   88  H   UNL     1       3.089   3.246   4.698  1.00  0.00           H  
HETATM   89  H   UNL     1       4.375   2.064   5.040  1.00  0.00           H  
HETATM   90  H   UNL     1       4.490   3.116   3.609  1.00  0.00           H  
HETATM   91  H   UNL     1       1.389   1.416   4.770  1.00  0.00           H  
HETATM   92  H   UNL     1       1.580  -0.017   3.731  1.00  0.00           H  
HETATM   93  H   UNL     1       2.675   0.234   5.111  1.00  0.00           H  
HETATM   94  H   UNL     1       4.068  -0.689  -2.109  1.00  0.00           H  
HETATM   95  H   UNL     1       5.759  -2.434  -2.510  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.604   2.473   1.599  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.953   5.003  -1.994  1.00  0.00           H  
CONECT    1   17   44   44   40                                       
CONECT    2   40   18   21   45                                       
CONECT    3   19   46   47   48                                       
CONECT    4   19   49   50   51                                       
CONECT    5   22   22   32   21                                       
CONECT    6   23   23   22   52                                       
CONECT    7    8   53   54   55                                       
CONECT    8    9    7   11   10                                       
CONECT    9    8   56   57   58                                       
CONECT   10    8   59   60   61                                       
CONECT   11   12    8   38   38                                       
CONECT   12   13   13   11   62                                       
CONECT   13   12   12   14   63                                       
CONECT   14   13   15   37   37                                       
CONECT   15   14   39   64   65                                       
CONECT   16   39   66   67   68                                       
CONECT   17   33   39    1   69                                       
CONECT   18   41    2   42   42                                       
CONECT   19    4   41    3   20                                       
CONECT   20   19   70   71   72                                       
CONECT   21    2    5   73   74                                       
CONECT   22    6    5    5   75                                       
CONECT   23   43    6    6   31                                       
CONECT   24   25   43   76   77                                       
CONECT   25   30   24   26   26                                       
CONECT   26   25   25   27   78                                       
CONECT   27   28   28   26   79                                       
CONECT   28   29   27   27   80                                       
CONECT   29   30   30   28   81                                       
CONECT   30   29   29   25   82                                       
CONECT   31   23   32   32   83                                       
CONECT   32   31   31    5   84                                       
CONECT   33   34   17   85   86                                       
CONECT   34   36   33   35   87                                       
CONECT   35   34   88   89   90                                       
CONECT   36   34   91   92   93                                       
CONECT   37   14   14   38   94                                       
CONECT   38   11   11   37   95                                       
CONECT   39   15   16   17                                            
CONECT   40    1    2   96                                            
CONECT   41   19   18   97                                            
CONECT   42   18   18                                                 
CONECT   43   24   23                                                 
CONECT   44    1    1                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
