COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.702   3.246  -1.158  1.00  0.00           C  
HETATM    2  C   UNL     1       4.143   0.705  -1.250  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.372   2.189  -2.214  1.00  0.00           C  
HETATM    4  C   UNL     1       5.068  -0.351  -0.642  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.630   0.491  -1.939  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.608   1.900   3.719  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.767   3.036   3.134  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.239  -4.128   0.076  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.965  -3.536   0.684  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.654  -1.223  -0.332  1.00  0.00           C  
HETATM   11  C   UNL     1       1.775   1.314  -1.664  1.00  0.00           C  
HETATM   12  C   UNL     1       2.686   0.274  -1.065  1.00  0.00           C  
HETATM   13  C   UNL     1       6.524   0.079  -0.827  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.772  -0.657  -1.448  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.498  -0.066  -0.840  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.928  -1.814  -0.940  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.083  -2.971  -0.432  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.809  -2.379   0.176  1.00  0.00           C  
HETATM   19  C   UNL     1     -13.121  -4.693   1.192  1.00  0.00           C  
HETATM   20  C   UNL     1     -14.394  -5.284   0.585  1.00  0.00           C  
HETATM   21  C   UNL     1      16.976  -3.479   1.473  1.00  0.00           C  
HETATM   22  C   UNL     1      16.051  -2.423   0.865  1.00  0.00           C  
HETATM   23  C   UNL     1      14.594  -2.854   1.050  1.00  0.00           C  
HETATM   24  C   UNL     1      13.669  -1.798   0.442  1.00  0.00           C  
HETATM   25  C   UNL     1      12.213  -2.228   0.627  1.00  0.00           C  
HETATM   26  C   UNL     1      11.288  -1.172   0.019  1.00  0.00           C  
HETATM   27  C   UNL     1       9.831  -1.603   0.204  1.00  0.00           C  
HETATM   28  C   UNL     1       8.906  -0.547  -0.404  1.00  0.00           C  
HETATM   29  C   UNL     1       7.450  -0.977  -0.219  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.670   1.578  -2.748  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.721   0.850   4.236  1.00  0.00           N  
HETATM   32  O   UNL     1       0.444   1.147  -1.618  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.518   2.663  -0.140  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.045   2.559   1.998  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.786   4.689   0.670  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.808   3.939   2.046  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.454   1.064  -1.639  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.993   0.422  -3.089  1.00  0.00           O  
HETATM   39  O   UNL     1       2.243   2.299  -2.185  1.00  0.00           O  
HETATM   40  P   UNL     1      -2.055   3.489   1.133  1.00  0.00           P  
HETATM   41  H   UNL     1       0.221   3.618  -0.715  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.239   4.071  -1.626  1.00  0.00           H  
HETATM   43  H   UNL     1       4.305   1.660  -0.751  1.00  0.00           H  
HETATM   44  H   UNL     1       4.359   0.808  -2.313  1.00  0.00           H  
HETATM   45  H   UNL     1       0.175   2.654  -3.035  1.00  0.00           H  
HETATM   46  H   UNL     1       4.852  -0.455   0.421  1.00  0.00           H  
HETATM   47  H   UNL     1       4.905  -1.307  -1.140  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.227   2.285   4.530  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.248   1.484   2.940  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.421   3.854   2.832  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.065   3.393   3.888  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.783  -3.348  -0.457  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.974  -4.925  -0.617  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.230  -2.738   1.378  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.421  -4.316   1.217  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.110  -2.002   0.201  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.919  -0.425   0.361  1.00  0.00           H  
HETATM   58  H   UNL     1       2.524  -0.681  -1.563  1.00  0.00           H  
HETATM   59  H   UNL     1       2.470   0.171  -0.002  1.00  0.00           H  
HETATM   60  H   UNL     1       6.740   0.183  -1.890  1.00  0.00           H  
HETATM   61  H   UNL     1       6.687   1.035  -0.328  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.508  -1.455  -2.141  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.316   0.122  -1.981  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.954  -0.846  -0.307  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.763   0.732  -0.147  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.472  -1.034  -1.473  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.663  -2.612  -1.633  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.819  -3.769  -1.125  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.627  -2.191  -0.965  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.266  -3.159   0.709  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.074  -1.582   0.869  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.576  -5.473   1.725  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.385  -3.895   1.885  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.130  -6.082  -0.109  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.023  -5.687   1.379  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.938  -4.505   0.051  1.00  0.00           H  
HETATM   77  H   UNL     1      16.813  -4.435   0.975  1.00  0.00           H  
HETATM   78  H   UNL     1      18.014  -3.173   1.341  1.00  0.00           H  
HETATM   79  H   UNL     1      16.760  -3.583   2.536  1.00  0.00           H  
HETATM   80  H   UNL     1      16.213  -1.468   1.364  1.00  0.00           H  
HETATM   81  H   UNL     1      16.267  -2.320  -0.198  1.00  0.00           H  
HETATM   82  H   UNL     1      14.432  -3.809   0.552  1.00  0.00           H  
HETATM   83  H   UNL     1      14.378  -2.957   2.113  1.00  0.00           H  
HETATM   84  H   UNL     1      13.832  -0.842   0.941  1.00  0.00           H  
HETATM   85  H   UNL     1      13.885  -1.694  -0.621  1.00  0.00           H  
HETATM   86  H   UNL     1      12.050  -3.184   0.128  1.00  0.00           H  
HETATM   87  H   UNL     1      11.997  -2.332   1.690  1.00  0.00           H  
HETATM   88  H   UNL     1      11.450  -0.216   0.518  1.00  0.00           H  
HETATM   89  H   UNL     1      11.504  -1.069  -1.044  1.00  0.00           H  
HETATM   90  H   UNL     1       9.669  -2.558  -0.294  1.00  0.00           H  
HETATM   91  H   UNL     1       9.615  -1.706   1.267  1.00  0.00           H  
HETATM   92  H   UNL     1       9.068   0.409   0.095  1.00  0.00           H  
HETATM   93  H   UNL     1       9.122  -0.443  -1.467  1.00  0.00           H  
HETATM   94  H   UNL     1       7.234  -1.081   0.844  1.00  0.00           H  
HETATM   95  H   UNL     1       7.287  -1.933  -0.717  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.242   2.343  -3.273  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.433   0.765  -3.434  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.074   1.224   4.913  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.253   0.087   4.628  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.282   3.202   2.385  1.00  0.00           H  
CONECT    1    3   33   41   42                                       
CONECT    2    4   12   43   44                                       
CONECT    3   32   30    1   45                                       
CONECT    4   13    2   46   47                                       
CONECT    5   15   37   38   38                                       
CONECT    6   31    7   48   49                                       
CONECT    7    6   34   50   51                                       
CONECT    8   19    9   52   53                                       
CONECT    9    8   17   54   55                                       
CONECT   10   16   14   56   57                                       
CONECT   11   12   32   39   39                                       
CONECT   12    2   11   58   59                                       
CONECT   13   29    4   60   61                                       
CONECT   14   10   15   62   63                                       
CONECT   15   14    5   64   65                                       
CONECT   16   18   10   66   67                                       
CONECT   17    9   18   68   69                                       
CONECT   18   17   16   70   71                                       
CONECT   19   20    8   72   73                                       
CONECT   20   19   74   75   76                                       
CONECT   21   22   77   78   79                                       
CONECT   22   21   23   80   81                                       
CONECT   23   22   24   82   83                                       
CONECT   24   23   25   84   85                                       
CONECT   25   24   26   86   87                                       
CONECT   26   25   27   88   89                                       
CONECT   27   26   28   90   91                                       
CONECT   28   27   29   92   93                                       
CONECT   29   28   13   94   95                                       
CONECT   30    3   37   96   97                                       
CONECT   31    6   98   99                                            
CONECT   32   11    3                                                 
CONECT   33   40    1                                                 
CONECT   34    7   40                                                 
CONECT   35   40   40                                                 
CONECT   36   40  100                                                 
CONECT   37   30    5                                                 
CONECT   38    5    5                                                 
CONECT   39   11   11                                                 
CONECT   40   35   35   34   33                                       
CONECT   40   36                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   31                                                      
CONECT  100   36                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
