COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -0.242   5.440   0.840  1.00  0.00           F  
HETATM    2  F   UNL     1       2.578   3.350  -2.343  1.00  0.00           F  
HETATM    3  N   UNL     1      -0.152  -0.441  -0.610  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.442   0.178  -0.296  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.550  -0.872  -0.401  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.662  -1.312  -1.756  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.879  -0.258   0.047  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.796   0.174   1.462  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.159  -0.092   1.976  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.697  -1.186   1.158  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.975  -1.301   0.026  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.719   1.312  -1.285  1.00  0.00           C  
HETATM   13  C   UNL     1       0.986   0.090  -0.121  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.170  -2.106  -0.861  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.844  -2.024   1.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.109  -1.397   0.993  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.566  -1.718  -0.272  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.727  -1.143  -0.754  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.431  -0.247   0.028  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.975   0.073   1.293  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.816  -0.505   1.777  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.697   2.403  -1.096  1.00  0.00           C  
HETATM   23  C   UNL     1       0.484   2.375  -1.814  1.00  0.00           C  
HETATM   24  C   UNL     1       1.424   3.378  -1.641  1.00  0.00           C  
HETATM   25  C   UNL     1       1.180   4.408  -0.750  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.003   4.435  -0.031  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.944   3.435  -0.210  1.00  0.00           C  
HETATM   28  O   UNL     1       0.942   1.081   0.581  1.00  0.00           O  
HETATM   29  C   UNL     1       2.289  -0.535  -0.438  1.00  0.00           C  
HETATM   30  C   UNL     1       3.466   0.012   0.067  1.00  0.00           C  
HETATM   31  C   UNL     1       4.689  -0.582  -0.237  1.00  0.00           C  
HETATM   32  C   UNL     1       4.727  -1.721  -1.044  1.00  0.00           C  
HETATM   33  C   UNL     1       3.556  -2.258  -1.541  1.00  0.00           C  
HETATM   34  C   UNL     1       2.340  -1.678  -1.240  1.00  0.00           C  
HETATM   35  C   UNL     1       3.604  -3.488  -2.412  1.00  0.00           C  
HETATM   36  C   UNL     1       5.944  -0.008   0.294  1.00  0.00           C  
HETATM   37  O   UNL     1       6.135   1.191   0.239  1.00  0.00           O  
HETATM   38  N   UNL     1       6.876  -0.815   0.839  1.00  0.00           N  
HETATM   39  C   UNL     1       8.060  -0.237   1.480  1.00  0.00           C  
HETATM   40  C   UNL     1       7.770   0.003   2.963  1.00  0.00           C  
HETATM   41  C   UNL     1       9.006   0.606   3.633  1.00  0.00           C  
HETATM   42  C   UNL     1       6.706  -2.269   0.789  1.00  0.00           C  
HETATM   43  C   UNL     1       7.518  -2.838  -0.376  1.00  0.00           C  
HETATM   44  C   UNL     1       7.235  -4.335  -0.512  1.00  0.00           C  
HETATM   45  H   UNL     1      -0.118  -1.234  -1.167  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.416   0.578   0.718  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.309  -1.721   0.238  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.877  -0.607  -2.382  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.142   0.584  -0.593  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.108  -0.365   1.966  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.113  -0.394   3.023  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.780   0.797   1.869  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.657   0.929  -2.304  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.716   1.714  -1.108  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.720  -3.015   1.081  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.904  -2.111   2.603  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.016  -2.418  -0.884  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.083  -1.393  -1.743  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.337   0.203  -0.349  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.525   0.773   1.905  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.462  -0.258   2.767  1.00  0.00           H  
HETATM   62  H   UNL     1       0.674   1.571  -2.510  1.00  0.00           H  
HETATM   63  H   UNL     1       1.912   5.190  -0.614  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.869   3.458   0.347  1.00  0.00           H  
HETATM   65  H   UNL     1       3.431   0.893   0.690  1.00  0.00           H  
HETATM   66  H   UNL     1       5.674  -2.183  -1.281  1.00  0.00           H  
HETATM   67  H   UNL     1       1.428  -2.105  -1.628  1.00  0.00           H  
HETATM   68  H   UNL     1       3.534  -4.378  -1.787  1.00  0.00           H  
HETATM   69  H   UNL     1       2.770  -3.469  -3.113  1.00  0.00           H  
HETATM   70  H   UNL     1       4.544  -3.504  -2.964  1.00  0.00           H  
HETATM   71  H   UNL     1       8.899  -0.925   1.381  1.00  0.00           H  
HETATM   72  H   UNL     1       8.308   0.710   1.000  1.00  0.00           H  
HETATM   73  H   UNL     1       6.931   0.691   3.063  1.00  0.00           H  
HETATM   74  H   UNL     1       7.522  -0.944   3.443  1.00  0.00           H  
HETATM   75  H   UNL     1       9.254   1.553   3.154  1.00  0.00           H  
HETATM   76  H   UNL     1       8.800   0.778   4.690  1.00  0.00           H  
HETATM   77  H   UNL     1       9.846  -0.082   3.534  1.00  0.00           H  
HETATM   78  H   UNL     1       7.056  -2.708   1.724  1.00  0.00           H  
HETATM   79  H   UNL     1       5.652  -2.507   0.648  1.00  0.00           H  
HETATM   80  H   UNL     1       7.235  -2.330  -1.298  1.00  0.00           H  
HETATM   81  H   UNL     1       8.581  -2.685  -0.188  1.00  0.00           H  
HETATM   82  H   UNL     1       7.517  -4.844   0.410  1.00  0.00           H  
HETATM   83  H   UNL     1       6.172  -4.489  -0.700  1.00  0.00           H  
HETATM   84  H   UNL     1       7.813  -4.741  -1.342  1.00  0.00           H  
CONECT    1   26                                                      
CONECT    2   24                                                      
CONECT    3    4   13   45                                            
CONECT    4    3    5   12   46                                       
CONECT    5    4    6    7   47                                       
CONECT    6    5   48                                                 
CONECT    7    5    8   11   49                                       
CONECT    8    7    9   50                                            
CONECT    9    8   10   51   52                                       
CONECT   10    9   11   15                                            
CONECT   11    7   10   14   14                                       
CONECT   12    4   22   53   54                                       
CONECT   13    3   28   28   29                                       
CONECT   14   11   11                                                 
CONECT   15   10   16   55   56                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   57                                       
CONECT   18   17   19   19   58                                       
CONECT   19   18   18   20   59                                       
CONECT   20   19   21   21   60                                       
CONECT   21   16   20   20   61                                       
CONECT   22   12   23   23   27                                       
CONECT   23   22   22   24   62                                       
CONECT   24    2   23   25   25                                       
CONECT   25   24   24   26   63                                       
CONECT   26    1   25   27   27                                       
CONECT   27   22   26   26   64                                       
CONECT   28   13   13                                                 
CONECT   29   13   30   30   34                                       
CONECT   30   29   29   31   65                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   66                                       
CONECT   33   32   34   34   35                                       
CONECT   34   29   33   33   67                                       
CONECT   35   33   68   69   70                                       
CONECT   36   31   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   42                                            
CONECT   39   38   40   71   72                                       
CONECT   40   39   41   73   74                                       
CONECT   41   40   75   76   77                                       
CONECT   42   38   43   78   79                                       
CONECT   43   42   44   80   81                                       
CONECT   44   43   82   83   84                                       
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
