COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.308  -0.277  -0.361  1.00  0.00           C  
HETATM    2  C   UNL     1       9.160   0.367  -1.142  1.00  0.00           C  
HETATM    3  C   UNL     1       8.312   1.487   0.971  1.00  0.00           C  
HETATM    4  C   UNL     1       8.646   2.748  -1.087  1.00  0.00           C  
HETATM    5  C   UNL     1       8.163   5.136  -1.145  1.00  0.00           C  
HETATM    6  C   UNL     1       7.659   6.219  -0.190  1.00  0.00           C  
HETATM    7  C   UNL     1       8.019  -0.611  -1.256  1.00  0.00           C  
HETATM    8  C   UNL     1       7.701  -1.191  -2.475  1.00  0.00           C  
HETATM    9  C   UNL     1       6.648  -2.083  -2.541  1.00  0.00           C  
HETATM   10  C   UNL     1       4.842  -3.336  -1.575  1.00  0.00           C  
HETATM   11  C   UNL     1       2.997  -4.172  -0.453  1.00  0.00           C  
HETATM   12  C   UNL     1       2.458  -4.194   0.979  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.857   0.174   2.655  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.533   0.917   1.501  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.939   0.669  -0.298  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.858  -1.630  -0.784  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.092  -1.254  -2.526  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.521  -0.028  -2.146  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.602   0.999  -3.895  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.945  -1.270  -3.644  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.808   1.384   0.765  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.860   1.551   1.974  1.00  0.00           C  
HETATM   23  C   UNL     1       3.928  -5.379  -0.681  1.00  0.00           C  
HETATM   24  C   UNL     1       5.279  -4.743  -1.092  1.00  0.00           C  
HETATM   25  C   UNL     1       6.228  -1.858  -0.288  1.00  0.00           C  
HETATM   26  C   UNL     1       7.267  -0.957  -0.144  1.00  0.00           C  
HETATM   27  F   UNL     1       7.598   7.444  -0.863  1.00  0.00           F  
HETATM   28  F   UNL     1       6.383   5.877   0.272  1.00  0.00           F  
HETATM   29  F   UNL     1       8.534   6.327   0.896  1.00  0.00           F  
HETATM   30  N   UNL     1       8.704   1.569  -0.438  1.00  0.00           N  
HETATM   31  N   UNL     1       8.226   3.853  -0.440  1.00  0.00           N  
HETATM   32  N   UNL     1       5.951  -2.385  -1.464  1.00  0.00           N1+
HETATM   33  N   UNL     1      -6.744  -0.298  -1.048  1.00  0.00           N  
HETATM   34  N   UNL     1      -7.649  -2.189  -1.652  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.802   1.062  -2.853  1.00  0.00           N  
HETATM   36  N   UNL     1      -9.165  -0.130  -4.289  1.00  0.00           N  
HETATM   37  N   UNL     1      -9.540  -2.447  -4.063  1.00  0.00           N  
HETATM   38  O   UNL     1       8.971   2.815  -2.257  1.00  0.00           O  
HETATM   39  O   UNL     1       3.776  -2.984  -0.667  1.00  0.00           O  
HETATM   40  O   UNL     1       1.507  -3.141   1.146  1.00  0.00           O  
HETATM   41  O   UNL     1       0.049  -4.104   2.968  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.348  -1.696   2.323  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.336  -2.331   3.742  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.595  -0.335   2.218  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.914  -0.010   0.461  1.00  0.00           O  
HETATM   46  O   UNL     1      -7.237   2.660   0.285  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.898   4.511  -0.567  1.00  0.00           O  
HETATM   48  O   UNL     1      -9.464   2.057  -0.739  1.00  0.00           O  
HETATM   49  O   UNL     1      -9.493   3.090   1.564  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.674   2.935   2.277  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.092  -0.228   4.373  1.00  0.00           O  
HETATM   52  O   UNL     1       1.798  -2.420   3.657  1.00  0.00           O  
HETATM   53  O   UNL     1       3.426  -6.207  -1.732  1.00  0.00           O  
HETATM   54  O   UNL     1       5.888  -5.481  -2.153  1.00  0.00           O  
HETATM   55  P   UNL     1       0.737  -2.868   2.533  1.00  0.00           P  
HETATM   56  P   UNL     1      -1.609  -1.173   3.176  1.00  0.00           P  
HETATM   57  P   UNL     1      -8.788   3.058   0.117  1.00  0.00           P  
HETATM   58  H   UNL     1       9.961  -0.549   0.636  1.00  0.00           H  
HETATM   59  H   UNL     1      10.647  -1.171  -0.885  1.00  0.00           H  
HETATM   60  H   UNL     1      11.133   0.431  -0.278  1.00  0.00           H  
HETATM   61  H   UNL     1       9.507   0.639  -2.138  1.00  0.00           H  
HETATM   62  H   UNL     1       7.233   1.355   1.041  1.00  0.00           H  
HETATM   63  H   UNL     1       8.814   0.641   1.440  1.00  0.00           H  
HETATM   64  H   UNL     1       8.599   2.407   1.482  1.00  0.00           H  
HETATM   65  H   UNL     1       7.481   5.051  -1.991  1.00  0.00           H  
HETATM   66  H   UNL     1       9.157   5.402  -1.505  1.00  0.00           H  
HETATM   67  H   UNL     1       8.269  -0.947  -3.361  1.00  0.00           H  
HETATM   68  H   UNL     1       6.394  -2.539  -3.487  1.00  0.00           H  
HETATM   69  H   UNL     1       4.474  -3.380  -2.600  1.00  0.00           H  
HETATM   70  H   UNL     1       2.169  -4.205  -1.161  1.00  0.00           H  
HETATM   71  H   UNL     1       1.976  -5.153   1.171  1.00  0.00           H  
HETATM   72  H   UNL     1       3.282  -4.055   1.679  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.703   0.860   3.488  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.490  -0.652   2.976  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.868   1.683   1.102  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.491   1.398  -0.974  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.361  -2.146   0.024  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.810   1.903  -4.448  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.666   0.768   1.034  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.250   1.018   2.841  1.00  0.00           H  
HETATM   81  H   UNL     1       4.039  -5.954   0.238  1.00  0.00           H  
HETATM   82  H   UNL     1       5.950  -4.669  -0.236  1.00  0.00           H  
HETATM   83  H   UNL     1       5.635  -2.129   0.573  1.00  0.00           H  
HETATM   84  H   UNL     1       7.490  -0.529   0.822  1.00  0.00           H  
HETATM   85  H   UNL     1       7.967   3.800   0.493  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.371  -3.273  -3.584  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.127  -2.446  -4.835  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.807   4.816  -0.699  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.101   3.725   2.178  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.088   3.097   3.029  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.605   0.553   4.075  1.00  0.00           H  
HETATM   92  H   UNL     1       2.287  -1.615   3.439  1.00  0.00           H  
HETATM   93  H   UNL     1       3.974  -6.982  -1.918  1.00  0.00           H  
HETATM   94  H   UNL     1       6.179  -6.367  -1.899  1.00  0.00           H  
CONECT    1    2   58   59   60                                       
CONECT    2   30    1    7   61                                       
CONECT    3   30   62   63   64                                       
CONECT    4   31   30   38   38                                       
CONECT    5   31    6   65   66                                       
CONECT    6    5   28   27   29                                       
CONECT    7    2   26   26    8                                       
CONECT    8    7    9    9   67                                       
CONECT    9    8    8   32   68                                       
CONECT   10   32   24   39   69                                       
CONECT   11   39   12   23   70                                       
CONECT   12   40   11   71   72                                       
CONECT   13   14   44   73   74                                       
CONECT   14   45   22   13   75                                       
CONECT   15   33   21   45   76                                       
CONECT   16   34   34   33   77                                       
CONECT   17   20   34   18   18                                       
CONECT   18   17   17   35   33                                       
CONECT   19   36   35   35   78                                       
CONECT   20   37   36   36   17                                       
CONECT   21   46   15   22   79                                       
CONECT   22   21   50   14   80                                       
CONECT   23   24   11   53   81                                       
CONECT   24   10   54   23   82                                       
CONECT   25   26   32   32   83                                       
CONECT   26    7    7   25   84                                       
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    3    4    2                                            
CONECT   31    5    4   85                                            
CONECT   32   25   25    9   10                                       
CONECT   33   18   16   15                                            
CONECT   34   17   16   16                                            
CONECT   35   19   19   18                                            
CONECT   36   20   20   19                                            
CONECT   37   20   86   87                                            
CONECT   38    4    4                                                 
CONECT   39   10   11                                                 
CONECT   40   55   12                                                 
CONECT   41   55   55                                                 
CONECT   42   56   55                                                 
CONECT   43   56   56                                                 
CONECT   44   13   56                                                 
CONECT   45   15   14                                                 
CONECT   46   57   21                                                 
CONECT   47   57   88                                                 
CONECT   48   57   57                                                 
CONECT   49   57   89                                                 
CONECT   50   22   90                                                 
CONECT   51   56   91                                                 
CONECT   52   55   92                                                 
CONECT   53   23   93                                                 
CONECT   54   24   94                                                 
CONECT   55   42   41   41   52                                       
CONECT   55   40                                                      
CONECT   56   44   43   43   51                                       
CONECT   56   42                                                      
CONECT   57   48   48   46   49                                       
CONECT   57   47                                                      
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   19                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   31                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   47                                                      
CONECT   89   49                                                      
CONECT   90   50                                                      
CONECT   91   51                                                      
CONECT   92   52                                                      
CONECT   93   53                                                      
CONECT   94   54                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
