COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.459   3.269  -0.327  1.00  0.00           N  
HETATM    2  C   UNL     1       3.589   4.051   0.566  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.215  -0.637   1.410  1.00  0.00           O  
HETATM    4  C   UNL     1       4.668   1.924   0.218  1.00  0.00           C  
HETATM    5  C   UNL     1       6.754   1.712  -1.107  1.00  0.00           C  
HETATM    6  C   UNL     1       8.823   1.723  -2.265  1.00  0.00           C  
HETATM    7  C   UNL     1      10.883   3.052  -2.497  1.00  0.00           C  
HETATM    8  C   UNL     1      10.816   1.944  -3.239  1.00  0.00           C  
HETATM    9  C   UNL     1       5.421   1.075  -0.809  1.00  0.00           C  
HETATM   10  C   UNL     1       5.499   2.023   1.498  1.00  0.00           C  
HETATM   11  C   UNL     1       3.294  -2.764   1.146  1.00  0.00           C  
HETATM   12  C   UNL     1       3.348   1.270   0.531  1.00  0.00           C  
HETATM   13  C   UNL     1       4.118  -2.740   2.268  1.00  0.00           C  
HETATM   14  C   UNL     1       5.317  -3.414   2.259  1.00  0.00           C  
HETATM   15  C   UNL     1       5.709  -4.126   1.121  1.00  0.00           C  
HETATM   16  C   UNL     1       4.878  -4.149  -0.006  1.00  0.00           C  
HETATM   17  C   UNL     1       3.677  -3.468   0.013  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.378   0.186   1.521  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.591  -0.687   1.848  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.933  -0.004   1.271  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.766   0.995   1.687  1.00  0.00           C  
HETATM   22  C   UNL     1       2.185   2.000   0.651  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.154   1.247   1.228  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.882   2.333   1.758  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.154   2.563   1.335  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.726   1.709   0.371  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.945   3.718   1.892  1.00  0.00           C  
HETATM   28  C   UNL     1       2.168   3.496   0.466  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.569  -0.171  -1.076  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.204   0.361  -2.191  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.759  -0.479  -3.135  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.683  -1.855  -2.971  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.049  -2.388  -1.857  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.489  -1.549  -0.914  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.114  -4.087  -3.668  1.00  0.00           C  
HETATM   36  C   UNL     1       6.992  -4.850   1.107  1.00  0.00           C  
HETATM   37  C   UNL     1       3.320  -0.107   0.703  1.00  0.00           C  
HETATM   38  C   UNL     1       2.132  -0.752   0.997  1.00  0.00           C  
HETATM   39  C   UNL     1       0.958  -0.013   1.121  1.00  0.00           C  
HETATM   40  C   UNL     1       0.991   1.359   0.947  1.00  0.00           C  
HETATM   41  F   UNL     1       5.251  -4.834  -1.109  1.00  0.00           F  
HETATM   42  N   UNL     1       7.594   1.136  -1.990  1.00  0.00           N  
HETATM   43  N   UNL     1       9.701   1.253  -3.094  1.00  0.00           N  
HETATM   44  N   UNL     1      -3.783   0.157   1.963  1.00  0.00           N  
HETATM   45  N   UNL     1      -5.076   1.703   2.599  1.00  0.00           N  
HETATM   46  N   UNL     1      -3.911   1.175   2.738  1.00  0.00           N  
HETATM   47  N   UNL     1      -9.007   0.679  -0.118  1.00  0.00           N  
HETATM   48  N   UNL     1      -7.697   0.461   0.324  1.00  0.00           N  
HETATM   49  O   UNL     1       7.070   2.744  -0.554  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.867   1.901  -0.020  1.00  0.00           O  
HETATM   51  O   UNL     1     -11.229  -2.682  -3.901  1.00  0.00           O  
HETATM   52  O   UNL     1       7.790  -4.826   2.193  1.00  0.00           O  
HETATM   53  O   UNL     1       7.331  -5.468   0.117  1.00  0.00           O  
HETATM   54  O   UNL     1       2.110  -2.101   1.163  1.00  0.00           O  
HETATM   55  S   UNL     1       9.393   3.176  -1.566  1.00  0.00           S  
HETATM   56  H   UNL     1       4.074   3.226  -1.260  1.00  0.00           H  
HETATM   57  H   UNL     1       3.945   3.964   1.592  1.00  0.00           H  
HETATM   58  H   UNL     1       3.599   5.098   0.262  1.00  0.00           H  
HETATM   59  H   UNL     1      11.707   3.750  -2.472  1.00  0.00           H  
HETATM   60  H   UNL     1      11.611   1.639  -3.904  1.00  0.00           H  
HETATM   61  H   UNL     1       5.579   0.075  -0.407  1.00  0.00           H  
HETATM   62  H   UNL     1       4.836   1.010  -1.726  1.00  0.00           H  
HETATM   63  H   UNL     1       4.970   2.635   2.229  1.00  0.00           H  
HETATM   64  H   UNL     1       5.657   1.025   1.907  1.00  0.00           H  
HETATM   65  H   UNL     1       6.463   2.479   1.272  1.00  0.00           H  
HETATM   66  H   UNL     1       3.816  -2.190   3.147  1.00  0.00           H  
HETATM   67  H   UNL     1       5.955  -3.394   3.130  1.00  0.00           H  
HETATM   68  H   UNL     1       3.034  -3.484  -0.855  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.231   0.916   2.317  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.547   0.705   0.578  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.738  -1.418   1.053  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.421  -1.207   2.791  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.151  -0.769   0.541  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.432   2.980   2.497  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.337   4.257   2.619  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.224   4.392   1.082  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.845   3.342   2.378  1.00  0.00           H  
HETATM   78  H   UNL     1       1.547   3.950   1.239  1.00  0.00           H  
HETATM   79  H   UNL     1       1.754   3.735  -0.514  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.264   1.431  -2.319  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.253  -0.066  -4.002  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.991  -3.459  -1.730  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.992  -1.964  -0.050  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.061  -4.361  -3.616  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.603  -4.340  -2.728  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.591  -4.630  -4.484  1.00  0.00           H  
HETATM   87  H   UNL     1       4.232  -0.678   0.608  1.00  0.00           H  
HETATM   88  H   UNL     1       0.082   1.934   1.044  1.00  0.00           H  
HETATM   89  H   UNL     1       7.340   0.311  -2.432  1.00  0.00           H  
HETATM   90  H   UNL     1       8.622  -5.316   2.136  1.00  0.00           H  
CONECT    1    2    4   56                                            
CONECT    2   28    1   57   58                                       
CONECT    3   18   39                                                 
CONECT    4   12    1   10    9                                       
CONECT    5    9   42   49   49                                       
CONECT    6   42   43   43   55                                       
CONECT    7   55    8    8   59                                       
CONECT    8   43    7    7   60                                       
CONECT    9    4    5   61   62                                       
CONECT   10    4   63   64   65                                       
CONECT   11   54   17   17   13                                       
CONECT   12   22   22   37    4                                       
CONECT   13   11   14   14   66                                       
CONECT   14   13   13   15   67                                       
CONECT   15   16   16   14   36                                       
CONECT   16   17   41   15   15                                       
CONECT   17   11   11   16   68                                       
CONECT   18   19    3   69   70                                       
CONECT   19   44   18   71   72                                       
CONECT   20   44   21   21   73                                       
CONECT   21   20   20   45   23                                       
CONECT   22   40   28   12   12                                       
CONECT   23   21   48   48   24                                       
CONECT   24   23   25   25   74                                       
CONECT   25   24   24   26   27                                       
CONECT   26   47   25   50   50                                       
CONECT   27   25   75   76   77                                       
CONECT   28   22    2   78   79                                       
CONECT   29   30   47   34   34                                       
CONECT   30   31   31   29   80                                       
CONECT   31   30   30   32   81                                       
CONECT   32   31   51   33   33                                       
CONECT   33   32   32   34   82                                       
CONECT   34   29   29   33   83                                       
CONECT   35   51   84   85   86                                       
CONECT   36   15   53   53   52                                       
CONECT   37   38   38   12   87                                       
CONECT   38   39   54   37   37                                       
CONECT   39    3   40   40   38                                       
CONECT   40   39   39   22   88                                       
CONECT   41   16                                                      
CONECT   42    5    6   89                                            
CONECT   43    6    6    8                                            
CONECT   44   19   46   20                                            
CONECT   45   46   46   21                                            
CONECT   46   44   45   45                                            
CONECT   47   48   29   26                                            
CONECT   48   23   23   47                                            
CONECT   49    5    5                                                 
CONECT   50   26   26                                                 
CONECT   51   32   35                                                 
CONECT   52   36   90                                                 
CONECT   53   36   36                                                 
CONECT   54   38   11                                                 
CONECT   55    6    7                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    2                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   24                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   37                                                      
CONECT   88   40                                                      
CONECT   89   42                                                      
CONECT   90   52                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
