COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.374  -1.465   0.356  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.570  -1.049  -0.380  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.122  -2.956   0.119  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.186  -0.673  -0.127  1.00  0.00           C  
HETATM    5  N   UNL     1       1.031  -0.887   0.412  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.325   0.158  -0.999  1.00  0.00           O  
HETATM    7  C   UNL     1       2.185  -0.117  -0.057  1.00  0.00           C  
HETATM    8  C   UNL     1       2.249   1.214   0.694  1.00  0.00           C  
HETATM    9  C   UNL     1       3.448  -0.899   0.198  1.00  0.00           C  
HETATM   10  O   UNL     1       3.389  -1.992   0.720  1.00  0.00           O  
HETATM   11  N   UNL     1       4.643  -0.384  -0.154  1.00  0.00           N  
HETATM   12  C   UNL     1       5.870  -1.144   0.094  1.00  0.00           C  
HETATM   13  C   UNL     1       7.058  -0.351  -0.388  1.00  0.00           C  
HETATM   14  C   UNL     1       7.501  -0.494  -1.690  1.00  0.00           C  
HETATM   15  C   UNL     1       8.591   0.233  -2.132  1.00  0.00           C  
HETATM   16  C   UNL     1       9.236   1.103  -1.273  1.00  0.00           C  
HETATM   17  C   UNL     1       8.793   1.246   0.028  1.00  0.00           C  
HETATM   18  C   UNL     1       7.700   0.522   0.469  1.00  0.00           C  
HETATM   19  C   UNL     1      10.424   1.895  -1.756  1.00  0.00           C  
HETATM   20  C   UNL     1       1.026   2.061   0.337  1.00  0.00           C  
HETATM   21  C   UNL     1       1.089   3.372   1.077  1.00  0.00           C  
HETATM   22  C   UNL     1       0.520   3.486   2.331  1.00  0.00           C  
HETATM   23  C   UNL     1       0.577   4.689   3.010  1.00  0.00           C  
HETATM   24  C   UNL     1       1.205   5.778   2.434  1.00  0.00           C  
HETATM   25  C   UNL     1       1.775   5.664   1.180  1.00  0.00           C  
HETATM   26  C   UNL     1       1.721   4.460   0.503  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.271  -3.769   0.721  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.023  -5.237   0.488  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.319  -5.975   1.421  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.092  -7.322   1.207  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.569  -7.930   0.061  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.273  -7.192  -0.871  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.505  -5.846  -0.655  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.790  -1.210   0.170  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.897  -1.699   1.275  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.020  -0.782  -0.587  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.201   0.731  -0.453  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.197  -1.467  -0.036  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.377   1.184  -1.322  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.555   2.674  -1.189  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.890   3.529  -2.049  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.053   4.896  -1.927  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.881   5.409  -0.945  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.545   4.554  -0.086  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.387   3.187  -0.212  1.00  0.00           C  
HETATM   46  H   UNL     1      -1.522  -1.286   1.421  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.484  -0.658  -1.264  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.062  -3.149  -0.952  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.185  -3.246   0.594  1.00  0.00           H  
HETATM   50  H   UNL     1       1.142  -1.552   1.110  1.00  0.00           H  
HETATM   51  H   UNL     1       2.086   0.073  -1.126  1.00  0.00           H  
HETATM   52  H   UNL     1       2.260   1.026   1.768  1.00  0.00           H  
HETATM   53  H   UNL     1       3.156   1.748   0.410  1.00  0.00           H  
HETATM   54  H   UNL     1       4.689   0.491  -0.572  1.00  0.00           H  
HETATM   55  H   UNL     1       5.970  -1.334   1.163  1.00  0.00           H  
HETATM   56  H   UNL     1       5.825  -2.092  -0.441  1.00  0.00           H  
HETATM   57  H   UNL     1       6.997  -1.173  -2.361  1.00  0.00           H  
HETATM   58  H   UNL     1       8.937   0.122  -3.149  1.00  0.00           H  
HETATM   59  H   UNL     1       9.297   1.925   0.699  1.00  0.00           H  
HETATM   60  H   UNL     1       7.351   0.637   1.485  1.00  0.00           H  
HETATM   61  H   UNL     1      10.084   2.845  -2.169  1.00  0.00           H  
HETATM   62  H   UNL     1      11.099   2.083  -0.920  1.00  0.00           H  
HETATM   63  H   UNL     1      10.949   1.330  -2.526  1.00  0.00           H  
HETATM   64  H   UNL     1       1.015   2.249  -0.737  1.00  0.00           H  
HETATM   65  H   UNL     1       0.119   1.527   0.621  1.00  0.00           H  
HETATM   66  H   UNL     1       0.030   2.635   2.781  1.00  0.00           H  
HETATM   67  H   UNL     1       0.132   4.778   3.990  1.00  0.00           H  
HETATM   68  H   UNL     1       1.249   6.718   2.964  1.00  0.00           H  
HETATM   69  H   UNL     1       2.264   6.515   0.730  1.00  0.00           H  
HETATM   70  H   UNL     1       2.169   4.370  -0.475  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.330  -3.575   1.792  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.208  -3.478   0.247  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.946  -5.500   2.316  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.541  -7.899   1.936  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.391  -8.982  -0.106  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.645  -7.667  -1.767  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.059  -5.270  -1.382  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.908  -1.042  -1.640  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.402   0.982   0.589  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.292   1.236  -0.779  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.323  -1.241   0.939  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.026  -1.246  -0.568  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.176   0.933  -2.363  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.286   0.679  -0.995  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.243   3.128  -2.815  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.534   5.564  -2.598  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.008   6.477  -0.850  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.192   4.955   0.681  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.906   2.519   0.460  1.00  0.00           H  
CONECT    1    4    3    2   46                                       
CONECT    2    1   34   47                                            
CONECT    3    1   27   48   49                                       
CONECT    4    1    5    6    6                                       
CONECT    5    4    7   50                                            
CONECT    6    4    4                                                 
CONECT    7    5    9    8   51                                       
CONECT    8    7   20   52   53                                       
CONECT    9    7   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   54                                            
CONECT   12   11   13   55   56                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   57                                       
CONECT   15   14   16   16   58                                       
CONECT   16   15   15   19   17                                       
CONECT   17   16   18   18   59                                       
CONECT   18   13   17   17   60                                       
CONECT   19   16   61   62   63                                       
CONECT   20    8   21   64   65                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   66                                       
CONECT   23   22   24   24   67                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26   26   69                                       
CONECT   26   21   25   25   70                                       
CONECT   27    3   28   71   72                                       
CONECT   28   27   33   33   29                                       
CONECT   29   28   30   30   73                                       
CONECT   30   29   29   31   74                                       
CONECT   31   30   32   32   75                                       
CONECT   32   31   31   33   76                                       
CONECT   33   28   28   32   77                                       
CONECT   34    2   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   38   78                                       
CONECT   37   36   39   79   80                                       
CONECT   38   36   81   82                                            
CONECT   39   37   40   83   84                                       
CONECT   40   39   45   45   41                                       
CONECT   41   40   42   42   85                                       
CONECT   42   41   41   43   86                                       
CONECT   43   42   44   44   87                                       
CONECT   44   43   43   45   88                                       
CONECT   45   40   40   44   89                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
