COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.231  -3.800  -0.666  1.00  0.00           C  
HETATM    2  C   UNL     1       1.059  -3.273   0.203  1.00  0.00           C  
HETATM    3  C   UNL     1       9.691   4.239   0.817  1.00  0.00           C  
HETATM    4  C   UNL     1       7.933   2.910   1.412  1.00  0.00           C  
HETATM    5  C   UNL     1       5.871  -3.818   1.449  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.975  -2.629   1.217  1.00  0.00           C  
HETATM    7  C   UNL     1       3.812  -3.022   0.318  1.00  0.00           C  
HETATM    8  C   UNL     1       5.311  -2.881   0.377  1.00  0.00           C  
HETATM    9  C   UNL     1       1.857  -3.927  -0.727  1.00  0.00           C  
HETATM   10  C   UNL     1       8.353   0.797   0.290  1.00  0.00           C  
HETATM   11  C   UNL     1       9.269   0.007  -0.409  1.00  0.00           C  
HETATM   12  C   UNL     1       8.920  -1.297  -0.711  1.00  0.00           C  
HETATM   13  N   UNL     1       7.735  -1.754  -0.332  1.00  0.00           N  
HETATM   14  N   UNL     1       7.184   0.272   0.638  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.631   0.508  -0.752  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.486  -0.272  -0.103  1.00  0.00           C  
HETATM   17  S   UNL     1      -4.022  -0.199  -1.172  1.00  0.00           S  
HETATM   18  O   UNL     1      -4.242  -0.934  -2.369  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.497   1.120  -1.209  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.874  -1.074  -0.361  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.063  -2.510  -0.146  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.342  -3.291  -1.249  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.841  -3.003  -1.173  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.480  -2.906   1.213  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.331  -3.400   0.146  1.00  0.00           N  
HETATM   26  C   UNL     1       1.647  -2.501   1.197  1.00  0.00           C  
HETATM   27  C   UNL     1       3.021  -2.374   1.249  1.00  0.00           C  
HETATM   28  N   UNL     1       5.659  -1.497   0.708  1.00  0.00           N  
HETATM   29  C   UNL     1       6.887  -0.981   0.330  1.00  0.00           C  
HETATM   30  F   UNL     1      10.469   0.505  -0.781  1.00  0.00           F  
HETATM   31  N   UNL     1       8.663   2.112   0.621  1.00  0.00           N  
HETATM   32  O   UNL     1       6.896   2.554   1.936  1.00  0.00           O  
HETATM   33  O   UNL     1       8.450   4.133   1.572  1.00  0.00           O  
HETATM   34  C   UNL     1       9.846   2.854   0.159  1.00  0.00           C  
HETATM   35  C   UNL     1       9.840   2.980  -1.366  1.00  0.00           C  
HETATM   36  C   UNL     1       8.582   3.728  -1.811  1.00  0.00           C  
HETATM   37  C   UNL     1      11.080   3.754  -1.819  1.00  0.00           C  
HETATM   38  H   UNL     1       3.851  -4.305  -1.392  1.00  0.00           H  
HETATM   39  H   UNL     1       9.610   5.016   0.057  1.00  0.00           H  
HETATM   40  H   UNL     1      10.530   4.442   1.482  1.00  0.00           H  
HETATM   41  H   UNL     1       6.955  -3.716   1.491  1.00  0.00           H  
HETATM   42  H   UNL     1       5.443  -3.558   2.417  1.00  0.00           H  
HETATM   43  H   UNL     1       5.612  -4.848   1.202  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.800  -1.566   1.055  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.554  -2.923   2.179  1.00  0.00           H  
HETATM   46  H   UNL     1       5.739  -3.141  -0.592  1.00  0.00           H  
HETATM   47  H   UNL     1       1.403  -4.535  -1.496  1.00  0.00           H  
HETATM   48  H   UNL     1       9.604  -1.935  -1.250  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.331   1.548  -0.887  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.867   0.069  -1.721  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.250   0.167   0.866  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.786  -1.311   0.032  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.076  -0.634  -0.027  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.127  -2.745  -0.168  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.515  -4.359  -1.111  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.723  -2.983  -2.222  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.323  -3.569  -1.948  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.668  -1.938  -1.324  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.655  -3.967   1.389  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.959  -2.322   1.999  1.00  0.00           H  
HETATM   61  H   UNL     1       1.029  -1.991   1.922  1.00  0.00           H  
HETATM   62  H   UNL     1       3.479  -1.774   2.021  1.00  0.00           H  
HETATM   63  H   UNL     1       5.028  -0.942   1.193  1.00  0.00           H  
HETATM   64  H   UNL     1      10.760   2.369   0.500  1.00  0.00           H  
HETATM   65  H   UNL     1       9.849   1.986  -1.813  1.00  0.00           H  
HETATM   66  H   UNL     1       8.573   4.722  -1.365  1.00  0.00           H  
HETATM   67  H   UNL     1       8.577   3.817  -2.898  1.00  0.00           H  
HETATM   68  H   UNL     1       7.698   3.177  -1.488  1.00  0.00           H  
HETATM   69  H   UNL     1      11.977   3.221  -1.502  1.00  0.00           H  
HETATM   70  H   UNL     1      11.075   3.843  -2.905  1.00  0.00           H  
HETATM   71  H   UNL     1      11.071   4.748  -1.373  1.00  0.00           H  
HETATM   72  S   UNL     1      -8.094   0.436   0.317  1.00  0.00           S  
HETATM   73  C   UNL     1      -9.322   1.401  -0.605  1.00  0.00           C  
HETATM   74  C   UNL     1     -10.637   1.436   0.177  1.00  0.00           C  
HETATM   75  C   UNL     1     -11.632   2.351  -0.538  1.00  0.00           C  
HETATM   76  C   UNL     1     -11.207   0.044   0.263  1.00  0.00           C  
HETATM   77  O   UNL     1     -11.280  -0.514   1.332  1.00  0.00           O  
HETATM   78  N   UNL     1     -12.827   2.523   0.298  1.00  0.00           N1+
HETATM   79  C   UNL     1     -12.428   2.987   1.633  1.00  0.00           C  
HETATM   80  C   UNL     1     -13.718   3.515  -0.319  1.00  0.00           C  
HETATM   81  C   UNL     1     -13.531   1.239   0.416  1.00  0.00           C  
HETATM   82  H   UNL     1      -8.955   2.418  -0.744  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.491   0.939  -1.578  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.451   1.815   1.182  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.170   3.323  -0.715  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.916   1.905  -1.491  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.550  -0.455  -0.631  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.906   3.940   1.546  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.315   3.115   2.254  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.767   2.251   2.091  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.014   3.171  -1.310  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.605   3.643   0.301  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.196   4.468  -0.407  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.055   0.633   1.186  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.572   1.419   0.687  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.490   0.713  -0.538  1.00  0.00           H  
CONECT    1    9    7    7   38                                       
CONECT    2   25    9    9   26                                       
CONECT    3   33   34   39   40                                       
CONECT    4   32   32   33   31                                       
CONECT    5    8   41   42   43                                       
CONECT    6   24   25   44   45                                       
CONECT    7    1    1   27    8                                       
CONECT    8    7   28    5   46                                       
CONECT    9    2    2    1   47                                       
CONECT   10   31   11   11   14                                       
CONECT   11   30   10   10   12                                       
CONECT   12   11   13   13   48                                       
CONECT   13   12   12   29                                            
CONECT   14   10   29   29                                            
CONECT   15   16   49   50   72                                       
CONECT   16   17   15   51   52                                       
CONECT   17   18   18   16   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   21   17   53                                            
CONECT   21   22   24   20   54                                       
CONECT   22   21   23   55   56                                       
CONECT   23   22   25   57   58                                       
CONECT   24   21    6   59   60                                       
CONECT   25    6   23    2                                            
CONECT   26    2   27   27   61                                       
CONECT   27   26   26    7   62                                       
CONECT   28   29    8   63                                            
CONECT   29   14   14   13   28                                       
CONECT   30   11                                                      
CONECT   31    4   34   10                                            
CONECT   32    4    4                                                 
CONECT   33    4    3                                                 
CONECT   34    3   31   35   64                                       
CONECT   35   36   34   37   65                                       
CONECT   36   35   66   67   68                                       
CONECT   37   35   69   70   71                                       
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   15   73                                                 
CONECT   73   72   74   82   83                                       
CONECT   74   73   75   76   84                                       
CONECT   75   74   78   85   86                                       
CONECT   76   74   77   77   87                                       
CONECT   77   76   76                                                 
CONECT   78   75   79   80   81                                       
CONECT   79   78   88   89   90                                       
CONECT   80   78   91   92   93                                       
CONECT   81   78   94   95   96                                       
CONECT   82   73                                                      
CONECT   83   73                                                      
CONECT   84   74                                                      
CONECT   85   75                                                      
CONECT   86   75                                                      
CONECT   87   76                                                      
CONECT   88   79                                                      
CONECT   89   79                                                      
CONECT   90   79                                                      
CONECT   91   80                                                      
CONECT   92   80                                                      
CONECT   93   80                                                      
CONECT   94   81                                                      
CONECT   95   81                                                      
CONECT   96   81                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
