COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.658  -2.514  -1.369  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.260  -3.873  -1.725  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.782  -3.880  -1.532  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.124  -4.146  -0.079  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.097  -3.164   0.549  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.343  -2.085   1.333  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.347  -1.189   2.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.687   0.134   2.457  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.030   1.471   1.380  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.051   1.507   0.274  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.001   0.505  -0.689  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.067   0.544  -1.714  1.00  0.00           C  
HETATM   13  C   UNL     1       0.826   1.620  -1.794  1.00  0.00           C  
HETATM   14  C   UNL     1       0.768   2.632  -0.846  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.166   2.588   0.195  1.00  0.00           C  
HETATM   16  C   UNL     1       1.706   3.771  -0.938  1.00  0.00           C  
HETATM   17  C   UNL     1       3.279   5.081  -1.615  1.00  0.00           C  
HETATM   18  C   UNL     1       2.739   5.636  -0.515  1.00  0.00           C  
HETATM   19  C   UNL     1       0.026  -0.523  -2.720  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.036   0.909   0.009  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.693   2.189  -0.756  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.499   0.915   0.369  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.380   0.088  -0.305  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.722   0.094   0.025  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.184   0.925   1.028  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.304   1.752   1.701  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.960   1.742   1.375  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.397  -2.607  -2.093  1.00  0.00           C  
HETATM   29  C   UNL     1       0.691  -2.746  -0.671  1.00  0.00           C  
HETATM   30  C   UNL     1       1.314  -1.398  -0.305  1.00  0.00           C  
HETATM   31  C   UNL     1       3.286  -0.337   0.618  1.00  0.00           C  
HETATM   32  C   UNL     1       4.657  -0.598   1.186  1.00  0.00           C  
HETATM   33  C   UNL     1       5.756  -0.637   0.349  1.00  0.00           C  
HETATM   34  C   UNL     1       7.014  -0.877   0.871  1.00  0.00           C  
HETATM   35  C   UNL     1       7.172  -1.078   2.229  1.00  0.00           C  
HETATM   36  C   UNL     1       6.073  -1.038   3.066  1.00  0.00           C  
HETATM   37  C   UNL     1       4.816  -0.793   2.546  1.00  0.00           C  
HETATM   38  C   UNL     1       8.212  -0.921  -0.042  1.00  0.00           C  
HETATM   39  C   UNL     1       9.212   0.159   0.376  1.00  0.00           C  
HETATM   40  C   UNL     1       8.877  -2.296   0.054  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.427  -1.763  -2.598  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.233   0.841   1.233  1.00  0.00           N  
HETATM   43  N   UNL     1       2.627   3.934  -1.859  1.00  0.00           N  
HETATM   44  N   UNL     1       2.655  -1.613   0.254  1.00  0.00           N  
HETATM   45  O   UNL     1       1.755   4.817  -0.094  1.00  0.00           O  
HETATM   46  O   UNL     1       0.580  -0.236  -3.784  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.719   1.954   2.458  1.00  0.00           O  
HETATM   48  O   UNL     1       0.487  -3.514   0.517  1.00  0.00           O  
HETATM   49  H   UNL     1      -1.306  -1.978  -0.685  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.036  -4.096  -2.770  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.810  -4.644  -1.099  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.176  -4.730  -2.125  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.548  -5.162   0.005  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.199  -4.158   0.514  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.803  -2.726  -0.136  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.710  -3.725   1.287  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.682  -2.565   2.057  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.744  -1.491   0.648  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.218  -1.009   1.439  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.674  -1.704   2.977  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.398   0.759   3.000  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.825  -0.062   3.103  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.702  -0.316  -0.641  1.00  0.00           H  
HETATM   64  H   UNL     1       1.558   1.657  -2.589  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.205   3.379   0.929  1.00  0.00           H  
HETATM   66  H   UNL     1       4.091   5.487  -2.200  1.00  0.00           H  
HETATM   67  H   UNL     1       3.039   6.566  -0.054  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.819   0.043  -0.616  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.767   3.044  -0.084  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.678   2.119  -1.145  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.392   2.315  -1.583  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.019  -0.561  -1.088  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.410  -0.552  -0.501  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.233   0.930   1.285  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.665   2.401   2.484  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.273   2.388   1.901  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.082  -2.476  -3.128  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.484  -2.679  -2.050  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.066  -1.753  -1.502  1.00  0.00           H  
HETATM   80  H   UNL     1       1.360  -3.285  -1.342  1.00  0.00           H  
HETATM   81  H   UNL     1       1.388  -0.777  -1.198  1.00  0.00           H  
HETATM   82  H   UNL     1       0.689  -0.897   0.435  1.00  0.00           H  
HETATM   83  H   UNL     1       2.674   0.170   1.364  1.00  0.00           H  
HETATM   84  H   UNL     1       3.374   0.290  -0.269  1.00  0.00           H  
HETATM   85  H   UNL     1       5.632  -0.481  -0.712  1.00  0.00           H  
HETATM   86  H   UNL     1       8.155  -1.266   2.636  1.00  0.00           H  
HETATM   87  H   UNL     1       6.197  -1.195   4.128  1.00  0.00           H  
HETATM   88  H   UNL     1       3.957  -0.762   3.200  1.00  0.00           H  
HETATM   89  H   UNL     1       7.893  -0.743  -1.069  1.00  0.00           H  
HETATM   90  H   UNL     1      10.078   0.128  -0.284  1.00  0.00           H  
HETATM   91  H   UNL     1       8.738   1.139   0.308  1.00  0.00           H  
HETATM   92  H   UNL     1       9.530  -0.019   1.403  1.00  0.00           H  
HETATM   93  H   UNL     1       8.165  -3.065  -0.244  1.00  0.00           H  
HETATM   94  H   UNL     1       9.743  -2.327  -0.606  1.00  0.00           H  
HETATM   95  H   UNL     1       9.196  -2.474   1.081  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.625  -2.238  -3.436  1.00  0.00           H  
HETATM   97  H   UNL     1       3.235  -2.133  -0.388  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.100  -3.095   1.161  1.00  0.00           H  
CONECT    1   29    2   41   49                                       
CONECT    2    1    3   50   51                                       
CONECT    3   28    2    4   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    7   42   61   62                                       
CONECT    9   10   42   47   47                                       
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   63                                       
CONECT   12   19   13   13   11                                       
CONECT   13   12   12   14   64                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   10   65                                       
CONECT   16   45   14   43   43                                       
CONECT   17   18   18   43   66                                       
CONECT   18   45   17   17   67                                       
CONECT   19   46   46   41   12                                       
CONECT   20   42   21   22   68                                       
CONECT   21   20   69   70   71                                       
CONECT   22   27   20   23   23                                       
CONECT   23   22   22   24   72                                       
CONECT   24   25   25   23   73                                       
CONECT   25   26   24   24   74                                       
CONECT   26   27   27   25   75                                       
CONECT   27   26   26   22   76                                       
CONECT   28    3   77   78   79                                       
CONECT   29   30   48    1   80                                       
CONECT   30   44   29   81   82                                       
CONECT   31   32   44   83   84                                       
CONECT   32   33   33   37   31                                       
CONECT   33   34   32   32   85                                       
CONECT   34   38   35   35   33                                       
CONECT   35   34   34   36   86                                       
CONECT   36   35   37   37   87                                       
CONECT   37   36   36   32   88                                       
CONECT   38   40   39   34   89                                       
CONECT   39   38   90   91   92                                       
CONECT   40   38   93   94   95                                       
CONECT   41    1   19   96                                            
CONECT   42    8    9   20                                            
CONECT   43   16   16   17                                            
CONECT   44   31   30   97                                            
CONECT   45   18   16                                                 
CONECT   46   19   19                                                 
CONECT   47    9    9                                                 
CONECT   48   29   98                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   33                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   44                                                      
CONECT   98   48                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
