COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.006   2.754   0.556  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.154   1.713  -0.054  1.00  0.00           O  
HETATM    3  N   UNL     1      -5.781   3.114   0.988  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.543   2.345   0.790  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.394   3.155   1.427  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.959   4.600   1.449  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.459   4.346   1.730  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.660   1.003   1.467  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.369   0.883   2.607  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.057  -0.073   0.933  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.103   0.090  -0.103  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.612  -0.990  -0.742  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.727   1.205  -0.415  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.064  -2.332  -0.367  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.287  -2.711  -1.204  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.740  -4.057  -0.828  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.242  -4.076   0.553  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.325  -5.523   1.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.758  -4.550  -1.765  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.086  -4.971  -3.073  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.626  -0.822  -1.813  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.238  -0.851  -1.227  1.00  0.00           C  
HETATM   23  C   UNL     1       0.435  -2.054  -1.110  1.00  0.00           C  
HETATM   24  C   UNL     1       1.707  -2.087  -0.575  1.00  0.00           C  
HETATM   25  C   UNL     1       2.313  -0.905  -0.151  1.00  0.00           C  
HETATM   26  C   UNL     1       1.630   0.303  -0.271  1.00  0.00           C  
HETATM   27  C   UNL     1       0.361   0.325  -0.813  1.00  0.00           C  
HETATM   28  C   UNL     1       3.679  -0.934   0.426  1.00  0.00           C  
HETATM   29  C   UNL     1       4.659  -0.055  -0.045  1.00  0.00           C  
HETATM   30  C   UNL     1       5.932  -0.089   0.500  1.00  0.00           C  
HETATM   31  C   UNL     1       6.232  -0.990   1.504  1.00  0.00           C  
HETATM   32  C   UNL     1       5.265  -1.861   1.972  1.00  0.00           C  
HETATM   33  C   UNL     1       3.990  -1.834   1.442  1.00  0.00           C  
HETATM   34  C   UNL     1       7.619  -1.023   2.092  1.00  0.00           C  
HETATM   35  F   UNL     1       8.547  -0.634   1.121  1.00  0.00           F  
HETATM   36  F   UNL     1       7.686  -0.145   3.180  1.00  0.00           F  
HETATM   37  F   UNL     1       7.912  -2.322   2.523  1.00  0.00           F  
HETATM   38  O   UNL     1       4.363   0.830  -1.032  1.00  0.00           O  
HETATM   39  C   UNL     1       5.414   1.697  -1.462  1.00  0.00           C  
HETATM   40  C   UNL     1       4.896   2.615  -2.572  1.00  0.00           C  
HETATM   41  F   UNL     1       5.925   3.464  -2.993  1.00  0.00           F  
HETATM   42  F   UNL     1       4.460   1.840  -3.652  1.00  0.00           F  
HETATM   43  F   UNL     1       3.830   3.379  -2.086  1.00  0.00           F  
HETATM   44  H   UNL     1      -4.356   2.210  -0.275  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.190   2.806   2.439  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.497   3.101   0.811  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.504   5.185   2.248  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.822   5.088   0.484  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.060   5.178   1.363  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.623   4.200   2.797  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.416   0.002   3.004  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.299  -1.062   1.294  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.263  -3.049  -0.549  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.329  -2.344   0.690  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.088  -1.994  -1.023  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.022  -2.699  -2.261  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.564  -3.513   1.194  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.233  -3.624   0.586  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.721  -5.539   2.060  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.984  -6.092   0.389  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.330  -5.968   1.035  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.269  -5.408  -1.327  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.481  -3.760  -1.965  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.511  -4.135  -3.471  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.420  -5.813  -2.885  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.848  -5.264  -3.795  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.732  -1.631  -2.535  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.790   0.134  -2.311  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.035  -2.969  -1.438  1.00  0.00           H  
HETATM   70  H   UNL     1       2.232  -3.027  -0.484  1.00  0.00           H  
HETATM   71  H   UNL     1       2.094   1.222   0.056  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.170   1.261  -0.907  1.00  0.00           H  
HETATM   73  H   UNL     1       6.692   0.589   0.139  1.00  0.00           H  
HETATM   74  H   UNL     1       5.506  -2.563   2.757  1.00  0.00           H  
HETATM   75  H   UNL     1       3.236  -2.513   1.813  1.00  0.00           H  
HETATM   76  H   UNL     1       5.754   2.301  -0.621  1.00  0.00           H  
HETATM   77  H   UNL     1       6.245   1.102  -1.841  1.00  0.00           H  
HETATM   78  O   UNL     1      -8.065   3.550   0.796  1.00  0.00           O  
HETATM   79  H   UNL     1      -8.922   3.252   0.463  1.00  0.00           H  
CONECT    1    2    2    3   78                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    7                                            
CONECT    4    8    3    5   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    7    5   47   48                                       
CONECT    7    3    6   49   50                                       
CONECT    8   10   10    9    4                                       
CONECT    9    8   51                                                 
CONECT   10   11    8    8   52                                       
CONECT   11   12   10   13   13                                       
CONECT   12   21   11   14                                            
CONECT   13   11   11                                                 
CONECT   14   12   15   53   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16   15   17   19                                            
CONECT   17   18   16   57   58                                       
CONECT   18   17   59   60   61                                       
CONECT   19   16   20   62   63                                       
CONECT   20   19   64   65   66                                       
CONECT   21   22   12   67   68                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   69                                       
CONECT   24   25   25   23   70                                       
CONECT   25   26   28   24   24                                       
CONECT   26   27   27   25   71                                       
CONECT   27   26   26   22   72                                       
CONECT   28   25   33   33   29                                       
CONECT   29   28   38   30   30                                       
CONECT   30   29   29   31   73                                       
CONECT   31   32   32   30   34                                       
CONECT   32   33   31   31   74                                       
CONECT   33   28   28   32   75                                       
CONECT   34   37   35   31   36                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   29   39                                                 
CONECT   39   38   40   76   77                                       
CONECT   40   42   39   41   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   30                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78    1   79                                                 
CONECT   79   78                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
