COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.079  -3.379  -1.787  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.280  -3.035  -2.861  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.007  -2.541  -2.646  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.532  -2.391  -1.357  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.329  -2.741  -0.282  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.603  -3.231  -0.497  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.901   1.091   0.305  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.182   0.382  -0.848  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.465   0.381  -1.363  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.469   1.080  -0.719  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.188   1.788   0.434  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.904   1.794   0.946  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.203  -1.116  -2.304  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.741  -2.195  -1.628  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.001  -2.850  -0.659  1.00  0.00           C  
HETATM   16  C   UNL     1       1.279  -2.429  -0.364  1.00  0.00           C  
HETATM   17  C   UNL     1       1.827  -1.342  -1.042  1.00  0.00           C  
HETATM   18  C   UNL     1       1.075  -0.682  -2.013  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.144  -1.853  -1.123  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.811  -1.964   0.300  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.139  -2.660  -1.946  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.089  -0.384  -1.547  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.405  -5.021   3.026  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.225  -3.705   3.333  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.383  -2.727   2.342  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.733  -3.120   1.039  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.908  -4.468   0.744  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.746  -5.409   1.736  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.273  -1.383   2.348  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.516  -0.910   1.177  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.282   2.554   1.134  1.00  0.00           C  
HETATM   32  F   UNL     1      -8.492   1.864   1.001  1.00  0.00           F  
HETATM   33  F   UNL     1      -6.966   2.683   2.490  1.00  0.00           F  
HETATM   34  P   UNL     1      -7.440   4.208   0.386  1.00  0.00           P  
HETATM   35  O   UNL     1      -6.090   5.046   0.647  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.681   4.060  -1.199  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.587   4.918   0.995  1.00  0.00           O  
HETATM   38  C   UNL     1       4.178  -1.810  -0.408  1.00  0.00           C  
HETATM   39  C   UNL     1       7.740  -1.782   0.495  1.00  0.00           C  
HETATM   40  C   UNL     1       6.499  -2.280   0.218  1.00  0.00           C  
HETATM   41  C   UNL     1       5.476  -1.370  -0.113  1.00  0.00           C  
HETATM   42  C   UNL     1       5.773   0.016  -0.145  1.00  0.00           C  
HETATM   43  N   UNL     1       7.009   0.437   0.142  1.00  0.00           N  
HETATM   44  C   UNL     1       7.964  -0.407   0.445  1.00  0.00           C  
HETATM   45  C   UNL     1       3.203  -0.884  -0.728  1.00  0.00           C  
HETATM   46  C   UNL     1       3.505   0.486  -0.758  1.00  0.00           C  
HETATM   47  C   UNL     1       4.757   0.932  -0.475  1.00  0.00           C  
HETATM   48  P   UNL     1       5.118   2.709  -0.522  1.00  0.00           P  
HETATM   49  O   UNL     1       4.852   3.349   0.931  1.00  0.00           O  
HETATM   50  O   UNL     1       6.659   2.932  -0.933  1.00  0.00           O  
HETATM   51  O   UNL     1       4.242   3.364  -1.518  1.00  0.00           O  
HETATM   52  C   UNL     1      10.203  -1.296   2.339  1.00  0.00           C  
HETATM   53  O   UNL     1      10.240  -0.971   0.948  1.00  0.00           O  
HETATM   54  C   UNL     1       9.340   0.123   0.755  1.00  0.00           C  
HETATM   55  C   UNL     1       9.829   0.986  -0.410  1.00  0.00           C  
HETATM   56  C   UNL     1      11.200   1.573  -0.071  1.00  0.00           C  
HETATM   57  C   UNL     1      11.762   2.298  -1.295  1.00  0.00           C  
HETATM   58  C   UNL     1      11.058   2.563   1.088  1.00  0.00           C  
HETATM   59  H   UNL     1      -8.073  -3.764  -1.955  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.652  -3.151  -3.869  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.384  -2.271  -3.486  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.957  -2.625   0.725  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.227  -3.500   0.343  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.898   1.095   0.706  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.685  -0.172  -2.264  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.472   1.075  -1.119  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.685   2.347   1.848  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.785  -0.608  -3.059  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.426  -3.693  -0.134  1.00  0.00           H  
HETATM   70  H   UNL     1       1.856  -2.941   0.392  1.00  0.00           H  
HETATM   71  H   UNL     1       1.494   0.161  -2.541  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.337  -2.513  -3.008  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.235  -3.718  -1.702  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.120   0.036  -1.275  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.227  -0.312  -2.625  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.281  -5.771   3.793  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.959  -3.416   4.340  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.173  -4.775  -0.257  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.885  -6.456   1.510  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.215   5.913   0.236  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.950   3.529  -1.545  1.00  0.00           H  
HETATM   82  H   UNL     1       3.943  -2.864  -0.387  1.00  0.00           H  
HETATM   83  H   UNL     1       8.547  -2.452   0.752  1.00  0.00           H  
HETATM   84  H   UNL     1       6.307  -3.342   0.251  1.00  0.00           H  
HETATM   85  H   UNL     1       2.732   1.197  -1.011  1.00  0.00           H  
HETATM   86  H   UNL     1       5.442   2.895   1.549  1.00  0.00           H  
HETATM   87  H   UNL     1       6.809   3.887  -0.947  1.00  0.00           H  
HETATM   88  H   UNL     1      10.516  -0.430   2.923  1.00  0.00           H  
HETATM   89  H   UNL     1       9.188  -1.576   2.620  1.00  0.00           H  
HETATM   90  H   UNL     1      10.877  -2.129   2.535  1.00  0.00           H  
HETATM   91  H   UNL     1       9.302   0.726   1.662  1.00  0.00           H  
HETATM   92  H   UNL     1       9.908   0.372  -1.308  1.00  0.00           H  
HETATM   93  H   UNL     1       9.120   1.795  -0.585  1.00  0.00           H  
HETATM   94  H   UNL     1      11.878   0.770   0.219  1.00  0.00           H  
HETATM   95  H   UNL     1      11.781   1.615  -2.145  1.00  0.00           H  
HETATM   96  H   UNL     1      11.131   3.154  -1.532  1.00  0.00           H  
HETATM   97  H   UNL     1      12.774   2.640  -1.082  1.00  0.00           H  
HETATM   98  H   UNL     1      10.658   2.046   1.960  1.00  0.00           H  
HETATM   99  H   UNL     1      12.035   2.981   1.330  1.00  0.00           H  
HETATM  100  H   UNL     1      10.381   3.366   0.798  1.00  0.00           H  
CONECT    1    2    2    6   59                                       
CONECT    2    1    1    3   60                                       
CONECT    3    2    4    4   61                                       
CONECT    4    3    3    5   19                                       
CONECT    5    4    6    6   62                                       
CONECT    6    1    5    5   63                                       
CONECT    7    8    8   12   64                                       
CONECT    8    7    7    9   22                                       
CONECT    9    8   10   10   65                                       
CONECT   10    9    9   11   66                                       
CONECT   11   10   12   12   31                                       
CONECT   12    7   11   11   67                                       
CONECT   13   14   14   18   68                                       
CONECT   14   13   13   15   21                                       
CONECT   15   14   16   16   69                                       
CONECT   16   15   15   17   70                                       
CONECT   17   16   18   18   45                                       
CONECT   18   13   17   17   71                                       
CONECT   19    4   20   21   22                                       
CONECT   20   19   26   30                                            
CONECT   21   14   19   72   73                                       
CONECT   22    8   19   74   75                                       
CONECT   23   24   24   28   76                                       
CONECT   24   23   23   25   77                                       
CONECT   25   24   26   26   29                                       
CONECT   26   20   25   25   27                                       
CONECT   27   26   28   28   78                                       
CONECT   28   23   27   27   79                                       
CONECT   29   25   30   30                                            
CONECT   30   20   29   29                                            
CONECT   31   11   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31   35   36   37                                       
CONECT   34   37                                                      
CONECT   35   34   80                                                 
CONECT   36   34   81                                                 
CONECT   37   34   34                                                 
CONECT   38   41   41   45   82                                       
CONECT   39   40   40   44   83                                       
CONECT   40   39   39   41   84                                       
CONECT   41   38   38   40   42                                       
CONECT   42   41   43   47   47                                       
CONECT   43   42   44   44                                            
CONECT   44   39   43   43   54                                       
CONECT   45   17   38   46   46                                       
CONECT   46   45   45   47   85                                       
CONECT   47   42   42   46   48                                       
CONECT   48   47   49   50   51                                       
CONECT   48   51                                                      
CONECT   49   48   86                                                 
CONECT   50   48   87                                                 
CONECT   51   48   48                                                 
CONECT   52   53   88   89   90                                       
CONECT   53   52   54                                                 
CONECT   54   44   53   55   91                                       
CONECT   55   54   56   92   93                                       
CONECT   56   55   57   58   94                                       
CONECT   57   56   95   96   97                                       
CONECT   58   56   98   99  100                                       
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   18                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   46                                                      
CONECT   86   49                                                      
CONECT   87   50                                                      
CONECT   88   52                                                      
CONECT   89   52                                                      
CONECT   90   52                                                      
CONECT   91   54                                                      
CONECT   92   55                                                      
CONECT   93   55                                                      
CONECT   94   56                                                      
CONECT   95   57                                                      
CONECT   96   57                                                      
CONECT   97   57                                                      
CONECT   98   58                                                      
CONECT   99   58                                                      
CONECT  100   58                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
