COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.311   4.142   2.102  1.00  0.00           N  
HETATM    2  N   UNL     1       4.814  -1.345   0.361  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.285  -0.769  -1.590  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.932  -2.437  -1.380  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.181  -2.884  -1.106  1.00  0.00           C  
HETATM    6  C   UNL     1       1.470   1.746   1.571  1.00  0.00           C  
HETATM    7  C   UNL     1       1.454   0.518   2.085  1.00  0.00           C  
HETATM    8  C   UNL     1       2.487  -1.546   1.174  1.00  0.00           C  
HETATM    9  C   UNL     1       5.894  -0.600  -0.290  1.00  0.00           C  
HETATM   10  C   UNL     1      10.138   0.238  -1.383  1.00  0.00           C  
HETATM   11  C   UNL     1       0.061  -1.504   1.773  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.810   0.450   3.064  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.483  -3.151   1.039  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.958  -4.249   0.122  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.959  -5.583   0.878  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.249  -4.776   0.516  1.00  0.00           C  
HETATM   17  C   UNL     1      11.550   0.753  -1.276  1.00  0.00           C  
HETATM   18  C   UNL     1       1.623   2.898   2.468  1.00  0.00           C  
HETATM   19  O   UNL     1       2.050   2.710   3.590  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.824   1.628  -1.168  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.045  -1.117  -1.722  1.00  0.00           N  
HETATM   22  O   UNL     1      -7.016  -1.839  -1.253  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.798   0.635  -1.809  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.593   5.209  -1.887  1.00  0.00           O  
HETATM   25  N   UNL     1       8.240  -0.717  -0.975  1.00  0.00           N  
HETATM   26  O   UNL     1       3.398   0.343   0.093  1.00  0.00           O  
HETATM   27  N   UNL     1       8.191  -0.189  -2.148  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.295  -2.560   0.840  1.00  0.00           O  
HETATM   29  N   UNL     1       9.306   0.392  -2.419  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.810  -2.950  -2.141  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.334  -3.969  -0.295  1.00  0.00           N  
HETATM   32  O   UNL     1      -2.179  -2.800   1.963  1.00  0.00           O  
HETATM   33  N   UNL     1      12.469  -0.202  -1.910  1.00  0.00           N  
HETATM   34  C   UNL     1       1.222  -0.686   1.207  1.00  0.00           C  
HETATM   35  C   UNL     1       3.598  -0.781   0.504  1.00  0.00           C  
HETATM   36  C   UNL     1       0.806   4.488   0.782  1.00  0.00           C  
HETATM   37  C   UNL     1       7.159  -1.461  -0.323  1.00  0.00           C  
HETATM   38  C   UNL     1       9.464  -0.476  -0.452  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.146  -0.591   1.994  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.495   0.119   0.684  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.701   4.490   0.800  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.431  -5.876   1.202  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.648  -3.130  -1.278  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.389   4.411  -0.334  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.860   4.383  -0.292  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.574   4.733   0.989  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.558   4.055  -1.372  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.063   4.008  -1.322  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.580   2.804  -2.114  1.00  0.00           C  
HETATM   50  F   UNL     1      -6.368   2.101   0.031  1.00  0.00           F  
HETATM   51  H   UNL     1       1.424   4.854   2.751  1.00  0.00           H  
HETATM   52  H   UNL     1       4.973  -2.243   0.690  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.454  -3.889  -0.822  1.00  0.00           H  
HETATM   54  H   UNL     1       1.364   1.878   0.507  1.00  0.00           H  
HETATM   55  H   UNL     1       1.586   0.380   3.149  1.00  0.00           H  
HETATM   56  H   UNL     1       2.781  -1.798   2.193  1.00  0.00           H  
HETATM   57  H   UNL     1       2.288  -2.462   0.617  1.00  0.00           H  
HETATM   58  H   UNL     1       5.600  -0.349  -1.309  1.00  0.00           H  
HETATM   59  H   UNL     1       6.093   0.315   0.267  1.00  0.00           H  
HETATM   60  H   UNL     1       0.359  -1.946   2.724  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.731   0.823   3.510  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.192  -0.009   3.836  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.266   1.277   2.608  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.303  -4.323  -0.744  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.548  -6.373   0.248  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.381  -5.495   1.798  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.726  -4.148   1.269  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.009  -5.226  -0.122  1.00  0.00           H  
HETATM   69  H   UNL     1      11.625   1.717  -1.780  1.00  0.00           H  
HETATM   70  H   UNL     1      11.816   0.870  -0.226  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.879   1.126  -0.963  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.871   0.834  -2.878  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.781   0.740  -1.349  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.316   6.015  -1.429  1.00  0.00           H  
HETATM   75  H   UNL     1      12.205  -0.377  -2.868  1.00  0.00           H  
HETATM   76  H   UNL     1      13.423   0.120  -1.852  1.00  0.00           H  
HETATM   77  H   UNL     1       0.978  -0.358   0.197  1.00  0.00           H  
HETATM   78  H   UNL     1       1.167   5.478   0.504  1.00  0.00           H  
HETATM   79  H   UNL     1       1.159   3.757   0.056  1.00  0.00           H  
HETATM   80  H   UNL     1       7.454  -1.712   0.696  1.00  0.00           H  
HETATM   81  H   UNL     1       6.961  -2.377  -0.881  1.00  0.00           H  
HETATM   82  H   UNL     1       9.830  -0.790   0.515  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.998  -1.187   2.322  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.687   0.798   0.412  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.628  -0.621  -0.105  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.418   0.684   0.812  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.235   4.565   1.738  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.714  -6.853   0.810  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.591  -5.846   2.280  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.872   4.377  -1.279  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.939   5.380   1.594  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.504   5.251   0.757  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.795   3.820   1.543  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.036   3.827  -2.290  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.387   3.925  -0.285  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.841   2.519  -2.863  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.513   3.071  -2.609  1.00  0.00           H  
CONECT    1   18   36   51                                            
CONECT    2    9   35   52                                            
CONECT    3   21   21   22   23                                       
CONECT    4   43    5    5   21                                       
CONECT    5    4    4   22   53                                       
CONECT    6    7    7   18   54                                       
CONECT    7   34    6    6   55                                       
CONECT    8   35   34   56   57                                       
CONECT    9   37    2   58   59                                       
CONECT   10   17   29   38   38                                       
CONECT   11   39   34   28   60                                       
CONECT   12   39   61   62   63                                       
CONECT   13   28   14   32   32                                       
CONECT   14   13   15   31   64                                       
CONECT   15   14   42   65   66                                       
CONECT   16   42   31   67   68                                       
CONECT   17   33   10   69   70                                       
CONECT   18    6    1   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   50   23   49   71                                       
CONECT   21    4    3    3                                            
CONECT   22    5    3                                                 
CONECT   23    3   20   72   73                                       
CONECT   24   48   74                                                 
CONECT   25   27   38   37                                            
CONECT   26   35   35                                                 
CONECT   27   29   29   25                                            
CONECT   28   11   13                                                 
CONECT   29   10   27   27                                            
CONECT   30   43   43                                                 
CONECT   31   14   43   16                                            
CONECT   32   13   13                                                 
CONECT   33   17   75   76                                            
CONECT   34    8   11    7   77                                       
CONECT   35   26   26    2    8                                       
CONECT   36    1   41   78   79                                       
CONECT   37   25    9   80   81                                       
CONECT   38   10   10   25   82                                       
CONECT   39   12   40   11   83                                       
CONECT   40   39   84   85   86                                       
CONECT   41   36   44   44   87                                       
CONECT   42   15   16   88   89                                       
CONECT   43   30   30   31    4                                       
CONECT   44   41   41   45   90                                       
CONECT   45   46   44   47   47                                       
CONECT   46   45   91   92   93                                       
CONECT   47   45   45   48   94                                       
CONECT   48   47   49   24   95                                       
CONECT   49   20   48   96   97                                       
CONECT   50   20                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   20                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   44                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
