COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.839   2.126  10.274  1.00  0.00           C  
HETATM    2  C   UNL     1       0.484   1.960   9.524  1.00  0.00           C  
HETATM    3  C   UNL     1       0.210   1.850   8.023  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.683   0.637   7.755  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.006   0.803   8.505  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.732   0.913  10.006  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.957   0.527   6.254  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.850  -0.685   5.987  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.124  -0.795   4.485  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.004  -1.990   4.222  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.731  -0.486   2.510  1.00  0.00           C  
HETATM   12  C   UNL     1       0.572  -0.650   1.772  1.00  0.00           C  
HETATM   13  C   UNL     1       1.687   0.057   2.544  1.00  0.00           C  
HETATM   14  C   UNL     1       3.010  -0.108   1.795  1.00  0.00           C  
HETATM   15  C   UNL     1       4.109   0.589   2.554  1.00  0.00           C  
HETATM   16  C   UNL     1       1.172  -0.565  -0.587  1.00  0.00           C  
HETATM   17  C   UNL     1       1.050   0.038  -1.962  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.064  -0.669  -2.733  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.186  -0.065  -4.108  1.00  0.00           C  
HETATM   20  C   UNL     1       0.551  -0.581  -5.157  1.00  0.00           C  
HETATM   21  C   UNL     1       0.442  -0.029  -6.419  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.409   1.044  -6.633  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.149   1.560  -5.579  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.040   1.001  -4.320  1.00  0.00           C  
HETATM   25  C   UNL     1       2.812  -1.353  -2.908  1.00  0.00           C  
HETATM   26  C   UNL     1       4.116  -1.517  -3.646  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.451  -3.195   3.980  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.857  -0.955   3.768  1.00  0.00           N  
HETATM   29  N   UNL     1       0.453  -0.063   0.436  1.00  0.00           N  
HETATM   30  N   UNL     1       2.318  -0.120  -2.679  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.211  -1.867   4.227  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.667   0.066   1.973  1.00  0.00           O  
HETATM   33  O   UNL     1       3.859   1.160   3.589  1.00  0.00           O  
HETATM   34  O   UNL     1       5.365   0.575   2.082  1.00  0.00           O  
HETATM   35  O   UNL     1       1.917  -1.504  -0.401  1.00  0.00           O  
HETATM   36  O   UNL     1       2.208  -2.330  -2.520  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.519   1.589  -7.873  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.964   0.963  -7.865  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.890   1.398 -10.108  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.333  -0.762  -8.718  1.00  0.00           O  
HETATM   41  P   UNL     1      -1.704   0.800  -8.624  1.00  0.00           P  
HETATM   42  H   UNL     1      -0.643   2.205  11.343  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.341   3.030   9.929  1.00  0.00           H  
HETATM   44  H   UNL     1       0.986   1.056   9.869  1.00  0.00           H  
HETATM   45  H   UNL     1       1.120   2.824   9.715  1.00  0.00           H  
HETATM   46  H   UNL     1       1.153   1.731   7.489  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.291   2.754   7.678  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.181  -0.266   8.100  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.508   1.707   8.160  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.643  -0.060   8.314  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.230   0.009  10.351  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.675   1.032  10.540  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.014   0.408   5.720  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.459   1.431   5.909  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.793  -0.567   6.520  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.349  -1.589   6.332  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.626   0.108   4.140  1.00  0.00           H  
HETATM   58  H   UNL     1       0.808  -1.711   1.683  1.00  0.00           H  
HETATM   59  H   UNL     1       1.450   1.118   2.633  1.00  0.00           H  
HETATM   60  H   UNL     1       1.775  -0.379   3.538  1.00  0.00           H  
HETATM   61  H   UNL     1       3.247  -1.168   1.706  1.00  0.00           H  
HETATM   62  H   UNL     1       2.922   0.328   0.800  1.00  0.00           H  
HETATM   63  H   UNL     1       0.814   1.099  -1.873  1.00  0.00           H  
HETATM   64  H   UNL     1       0.171  -1.730  -2.822  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.007  -0.551  -2.200  1.00  0.00           H  
HETATM   66  H   UNL     1       1.214  -1.417  -4.990  1.00  0.00           H  
HETATM   67  H   UNL     1       1.019  -0.432  -7.237  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.813   2.397  -5.743  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.616   1.402  -3.500  1.00  0.00           H  
HETATM   70  H   UNL     1       4.352  -2.577  -3.735  1.00  0.00           H  
HETATM   71  H   UNL     1       4.028  -1.079  -4.641  1.00  0.00           H  
HETATM   72  H   UNL     1       4.910  -1.012  -3.096  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.017  -3.964   3.810  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.486  -3.293   3.976  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.109  -1.397   4.198  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.142   0.687   0.287  1.00  0.00           H  
HETATM   77  H   UNL     1       2.801   0.661  -2.990  1.00  0.00           H  
HETATM   78  H   UNL     1       6.070   1.023   2.569  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.608   0.899 -10.522  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.508  -0.824  -9.219  1.00  0.00           H  
CONECT    1    2    6   42   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    2    4   46   47                                       
CONECT    4    3    5    7   48                                       
CONECT    5    4    6   49   50                                       
CONECT    6    1    5   51   52                                       
CONECT    7    4    8   53   54                                       
CONECT    8    7    9   55   56                                       
CONECT    9    8   10   28   57                                       
CONECT   10    9   27   31   31                                       
CONECT   11   12   28   32   32                                       
CONECT   12   11   13   29   58                                       
CONECT   13   12   14   59   60                                       
CONECT   14   13   15   61   62                                       
CONECT   15   14   33   33   34                                       
CONECT   16   17   29   35   35                                       
CONECT   17   16   18   30   63                                       
CONECT   18   17   19   64   65                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   66                                       
CONECT   21   20   22   22   67                                       
CONECT   22   21   21   23   37                                       
CONECT   23   22   24   24   68                                       
CONECT   24   19   23   23   69                                       
CONECT   25   26   30   36   36                                       
CONECT   26   25   70   71   72                                       
CONECT   27   10   73   74                                            
CONECT   28    9   11   75                                            
CONECT   29   12   16   76                                            
CONECT   30   17   25   77                                            
CONECT   31   10   10                                                 
CONECT   32   11   11                                                 
CONECT   33   15   15                                                 
CONECT   34   15   78                                                 
CONECT   35   16   16                                                 
CONECT   36   25   25                                                 
CONECT   37   22   41                                                 
CONECT   38   41   41                                                 
CONECT   39   41   79                                                 
CONECT   40   41   80                                                 
CONECT   41   37   38   38   39                                       
CONECT   41   40                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   34                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
