COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.407   3.847   0.831  1.00  0.00           C  
HETATM    2  C   UNL     1       7.726   4.284  -0.605  1.00  0.00           C  
HETATM    3  O   UNL     1       6.614   4.837  -1.311  1.00  0.00           O  
HETATM    4  C   UNL     1       7.927   2.779  -0.828  1.00  0.00           C  
HETATM    5  N   UNL     1       7.000   2.542   0.289  1.00  0.00           N  
HETATM    6  C   UNL     1       6.151   1.561   0.654  1.00  0.00           C  
HETATM    7  O   UNL     1       5.502   1.669   1.673  1.00  0.00           O  
HETATM    8  C   UNL     1       6.009   0.329  -0.202  1.00  0.00           C  
HETATM    9  N   UNL     1       5.032  -0.581   0.408  1.00  0.00           N  
HETATM   10  C   UNL     1       5.039  -1.888  -0.264  1.00  0.00           C  
HETATM   11  C   UNL     1       4.144  -2.862   0.511  1.00  0.00           C  
HETATM   12  C   UNL     1       3.688   0.011   0.406  1.00  0.00           C  
HETATM   13  C   UNL     1       2.737  -0.885   1.208  1.00  0.00           C  
HETATM   14  N   UNL     1       2.815  -2.250   0.668  1.00  0.00           N  
HETATM   15  C   UNL     1       1.655  -2.951   0.312  1.00  0.00           C  
HETATM   16  C   UNL     1       0.438  -2.425   0.587  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.705  -3.100   0.244  1.00  0.00           N  
HETATM   18  C   UNL     1       1.758  -4.200  -0.336  1.00  0.00           C  
HETATM   19  C   UNL     1       0.630  -4.877  -0.679  1.00  0.00           C  
HETATM   20  C   UNL     1       0.727  -6.212  -1.371  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.630  -4.320  -0.382  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.866  -4.749  -0.598  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.733  -3.845  -0.131  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.235  -3.958  -0.183  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.748  -4.547   1.132  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.033  -2.809   0.399  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.570  -1.659   0.991  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.744  -1.597   2.444  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.934  -0.586   0.206  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.525   0.483   0.648  1.00  0.00           N  
HETATM   31  S   UNL     1      -2.663  -0.479  -1.477  1.00  0.00           S  
HETATM   32  C   UNL     1      -3.418   1.112  -1.517  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.591   1.936  -2.676  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.728   2.589  -3.595  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.809   1.424  -0.232  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.480   2.694   0.126  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.453   2.714   1.126  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.075   3.900   1.457  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.736   5.070   0.797  1.00  0.00           C  
HETATM   40  F   UNL     1      -6.348   6.229   1.124  1.00  0.00           F  
HETATM   41  C   UNL     1      -4.770   5.056  -0.197  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.138   3.876  -0.531  1.00  0.00           C  
HETATM   43  H   UNL     1       8.285   3.795   1.474  1.00  0.00           H  
HETATM   44  H   UNL     1       6.586   4.405   1.282  1.00  0.00           H  
HETATM   45  H   UNL     1       8.637   4.875  -0.701  1.00  0.00           H  
HETATM   46  H   UNL     1       6.818   5.111  -2.215  1.00  0.00           H  
HETATM   47  H   UNL     1       7.549   2.428  -1.788  1.00  0.00           H  
HETATM   48  H   UNL     1       8.944   2.442  -0.628  1.00  0.00           H  
HETATM   49  H   UNL     1       5.668   0.616  -1.197  1.00  0.00           H  
HETATM   50  H   UNL     1       6.974  -0.172  -0.280  1.00  0.00           H  
HETATM   51  H   UNL     1       4.661  -1.777  -1.280  1.00  0.00           H  
HETATM   52  H   UNL     1       6.057  -2.276  -0.294  1.00  0.00           H  
HETATM   53  H   UNL     1       4.054  -3.796  -0.043  1.00  0.00           H  
HETATM   54  H   UNL     1       4.578  -3.057   1.491  1.00  0.00           H  
HETATM   55  H   UNL     1       3.726   1.001   0.862  1.00  0.00           H  
HETATM   56  H   UNL     1       3.329   0.096  -0.620  1.00  0.00           H  
HETATM   57  H   UNL     1       3.034  -0.888   2.257  1.00  0.00           H  
HETATM   58  H   UNL     1       1.718  -0.510   1.117  1.00  0.00           H  
HETATM   59  H   UNL     1       0.367  -1.466   1.080  1.00  0.00           H  
HETATM   60  H   UNL     1       2.729  -4.616  -0.558  1.00  0.00           H  
HETATM   61  H   UNL     1       1.776  -6.472  -1.512  1.00  0.00           H  
HETATM   62  H   UNL     1       0.243  -6.974  -0.760  1.00  0.00           H  
HETATM   63  H   UNL     1       0.233  -6.155  -2.341  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.668  -2.969  -0.332  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.522  -4.608  -1.009  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.835  -4.628   1.094  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.315  -5.536   1.281  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.461  -3.897   1.958  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.880  -1.107   2.893  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.645  -1.030   2.678  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.837  -2.607   2.842  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.719   1.802   1.640  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.828   3.916   2.230  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.509   5.971  -0.708  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.385   3.866  -1.305  1.00  0.00           H  
CONECT    1    5    2   43   44                                       
CONECT    2    1    4    3   45                                       
CONECT    3    2   46                                                 
CONECT    4    5    2   47   48                                       
CONECT    5    1    6    4                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   49   50                                       
CONECT    9   12   10    8                                            
CONECT   10   11    9   51   52                                       
CONECT   11   14   10   53   54                                       
CONECT   12   13    9   55   56                                       
CONECT   13   14   12   57   58                                       
CONECT   14   15   13   11                                            
CONECT   15   16   16   18   14                                       
CONECT   16   17   15   15   59                                       
CONECT   17   26   21   16                                            
CONECT   18   19   19   15   60                                       
CONECT   19   21   20   18   18                                       
CONECT   20   19   61   62   63                                       
CONECT   21   22   22   17   19                                       
CONECT   22   23   21   21                                            
CONECT   23   24   22   26   26                                       
CONECT   24   25   23   64   65                                       
CONECT   25   24   66   67   68                                       
CONECT   26   23   23   27   17                                       
CONECT   27   28   26   29                                            
CONECT   28   27   69   70   71                                       
CONECT   29   27   30   30   31                                       
CONECT   30   29   29   35                                            
CONECT   31   29   32                                                 
CONECT   32   31   35   35   33                                       
CONECT   33   32   34   34   34                                       
CONECT   34   33   33   33                                            
CONECT   35   30   36   32   32                                       
CONECT   36   42   35   37   37                                       
CONECT   37   36   36   38   72                                       
CONECT   38   39   39   37   73                                       
CONECT   39   41   40   38   38                                       
CONECT   40   39                                                      
CONECT   41   42   42   39   74                                       
CONECT   42   41   41   36   75                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
