COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.046   3.837   1.037  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.466   2.852   2.140  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.330   1.796   2.060  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.108   2.506   2.677  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.726   3.566   1.817  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.706   4.525   1.407  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.237   4.912   0.073  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.370   3.708  -0.714  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.567   2.927  -0.135  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.070   1.639   0.544  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.649   1.469   0.301  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.184   0.206   0.251  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.946  -0.728   0.407  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.875  -0.022   0.029  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.369  -1.396  -0.026  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.556  -1.953  -1.439  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.027  -2.057  -1.747  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.716  -3.216  -1.443  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.066  -3.312  -1.726  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.727  -2.247  -2.314  1.00  0.00           C  
HETATM   21  F   UNL     1      -7.046  -2.340  -2.590  1.00  0.00           F  
HETATM   22  C   UNL     1      -5.036  -1.087  -2.617  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.688  -0.991  -2.329  1.00  0.00           C  
HETATM   24  C   UNL     1       0.118  -1.407   0.335  1.00  0.00           C  
HETATM   25  O   UNL     1       0.854  -0.694  -0.660  1.00  0.00           O  
HETATM   26  C   UNL     1       0.616  -2.852   0.400  1.00  0.00           C  
HETATM   27  N   UNL     1       2.000  -2.871   0.879  1.00  0.00           N  
HETATM   28  C   UNL     1       2.283  -2.722   2.309  1.00  0.00           C  
HETATM   29  C   UNL     1       2.231  -4.094   2.984  1.00  0.00           C  
HETATM   30  C   UNL     1       2.660  -3.959   4.447  1.00  0.00           C  
HETATM   31  C   UNL     1       0.804  -4.641   2.919  1.00  0.00           C  
HETATM   32  S   UNL     1       3.246  -3.059  -0.196  1.00  0.00           S  
HETATM   33  O   UNL     1       4.288  -3.719   0.510  1.00  0.00           O  
HETATM   34  O   UNL     1       2.671  -3.570  -1.391  1.00  0.00           O  
HETATM   35  C   UNL     1       3.849  -1.449  -0.583  1.00  0.00           C  
HETATM   36  C   UNL     1       4.767  -0.842   0.250  1.00  0.00           C  
HETATM   37  C   UNL     1       3.402  -0.803  -1.725  1.00  0.00           C  
HETATM   38  C   UNL     1       3.866   0.456  -2.040  1.00  0.00           C  
HETATM   39  C   UNL     1       4.789   1.082  -1.204  1.00  0.00           C  
HETATM   40  N   UNL     1       5.420   2.289  -1.236  1.00  0.00           N  
HETATM   41  C   UNL     1       5.243   0.423  -0.051  1.00  0.00           C  
HETATM   42  O   UNL     1       6.115   1.263   0.551  1.00  0.00           O  
HETATM   43  C   UNL     1       6.200   2.382  -0.190  1.00  0.00           C  
HETATM   44  N   UNL     1       6.994   3.467   0.107  1.00  0.00           N  
HETATM   45  C   UNL     1       7.006   4.631  -0.781  1.00  0.00           C  
HETATM   46  C   UNL     1       7.418   5.873   0.012  1.00  0.00           C  
HETATM   47  C   UNL     1       8.004   4.397  -1.917  1.00  0.00           C  
HETATM   48  H   UNL     1      -6.833   4.541   0.768  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.480   3.338   3.115  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.434   2.403   1.915  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.577   0.860   2.562  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.372   2.905   3.657  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.284   1.800   2.777  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.822   5.351   2.108  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.560   3.964  -1.756  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.462   3.110  -0.636  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.347   2.747  -0.876  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.621   0.780   0.160  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.267   0.723  -0.095  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.920  -2.014   0.684  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.080  -1.286  -2.158  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.100  -2.941  -1.503  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.200  -4.046  -0.985  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.604  -4.218  -1.489  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.551  -0.256  -3.076  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.149  -0.084  -2.562  1.00  0.00           H  
HETATM   67  H   UNL     1       0.260  -0.930   1.304  1.00  0.00           H  
HETATM   68  H   UNL     1       0.831  -1.103  -1.536  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.013  -3.423   1.084  1.00  0.00           H  
HETATM   70  H   UNL     1       0.570  -3.298  -0.594  1.00  0.00           H  
HETATM   71  H   UNL     1       3.274  -2.289   2.440  1.00  0.00           H  
HETATM   72  H   UNL     1       1.538  -2.067   2.760  1.00  0.00           H  
HETATM   73  H   UNL     1       2.907  -4.778   2.469  1.00  0.00           H  
HETATM   74  H   UNL     1       1.985  -3.275   4.961  1.00  0.00           H  
HETATM   75  H   UNL     1       2.623  -4.936   4.928  1.00  0.00           H  
HETATM   76  H   UNL     1       3.677  -3.569   4.493  1.00  0.00           H  
HETATM   77  H   UNL     1       0.549  -4.868   1.884  1.00  0.00           H  
HETATM   78  H   UNL     1       0.736  -5.550   3.517  1.00  0.00           H  
HETATM   79  H   UNL     1       0.111  -3.896   3.310  1.00  0.00           H  
HETATM   80  H   UNL     1       5.114  -1.353   1.137  1.00  0.00           H  
HETATM   81  H   UNL     1       2.687  -1.290  -2.372  1.00  0.00           H  
HETATM   82  H   UNL     1       3.515   0.955  -2.932  1.00  0.00           H  
HETATM   83  H   UNL     1       7.547   3.459   0.905  1.00  0.00           H  
HETATM   84  H   UNL     1       6.010   4.780  -1.198  1.00  0.00           H  
HETATM   85  H   UNL     1       8.414   5.724   0.428  1.00  0.00           H  
HETATM   86  H   UNL     1       7.427   6.740  -0.650  1.00  0.00           H  
HETATM   87  H   UNL     1       6.707   6.040   0.821  1.00  0.00           H  
HETATM   88  H   UNL     1       7.710   3.512  -2.482  1.00  0.00           H  
HETATM   89  H   UNL     1       8.012   5.264  -2.578  1.00  0.00           H  
HETATM   90  H   UNL     1       9.000   4.248  -1.500  1.00  0.00           H  
CONECT    1    9    2    6   48                                       
CONECT    2    3    1   49   50                                       
CONECT    3   10    4    2   51                                       
CONECT    4    3    5   52   53                                       
CONECT    5    4    6                                                 
CONECT    6    7    1    5   54                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   55   56                                       
CONECT    9   10    8    1   57                                       
CONECT   10   11    9    3   58                                       
CONECT   11   12   10                                                 
CONECT   12   14   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   59                                            
CONECT   15   24   16   14   60                                       
CONECT   16   15   17   61   62                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   63                                       
CONECT   19   18   20   20   64                                       
CONECT   20   19   19   22   21                                       
CONECT   21   20                                                      
CONECT   22   23   23   20   65                                       
CONECT   23   17   22   22   66                                       
CONECT   24   26   25   15   67                                       
CONECT   25   24   68                                                 
CONECT   26   27   24   69   70                                       
CONECT   27   32   28   26                                            
CONECT   28   27   29   71   72                                       
CONECT   29   28   31   30   73                                       
CONECT   30   29   74   75   76                                       
CONECT   31   29   77   78   79                                       
CONECT   32   35   33   33   34                                       
CONECT   32   34   27                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   36   37   37   32                                       
CONECT   36   41   41   35   80                                       
CONECT   37   38   35   35   81                                       
CONECT   38   39   39   37   82                                       
CONECT   39   40   38   38   41                                       
CONECT   40   43   43   39                                            
CONECT   41   42   39   36   36                                       
CONECT   42   43   41                                                 
CONECT   43   44   40   40   42                                       
CONECT   44   45   43   83                                            
CONECT   45   47   44   46   84                                       
CONECT   46   45   85   86   87                                       
CONECT   47   45   88   89   90                                       
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
CONECT   90   47                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
