COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.226  -0.433  -0.947  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.104   0.202  -1.264  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.027   1.707  -1.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.334   2.369  -1.439  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.492   2.231  -2.954  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.800   2.894  -3.393  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.772   4.376  -3.016  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.614   4.514  -1.500  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.307   3.852  -1.062  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.427  -0.384  -0.821  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.468  -0.978   0.030  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.790  -1.033  -0.277  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.439  -1.704   0.849  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.758  -2.062   1.141  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.042  -2.700   2.316  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.030  -2.994   3.219  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.723  -2.649   2.950  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.409  -2.001   1.762  1.00  0.00           C  
HETATM   19  C   UNL     1       2.642  -0.578  -1.226  1.00  0.00           C  
HETATM   20  C   UNL     1       2.907  -1.875  -1.995  1.00  0.00           C  
HETATM   21  C   UNL     1       4.233  -2.481  -1.531  1.00  0.00           C  
HETATM   22  C   UNL     1       4.591  -3.667  -2.430  1.00  0.00           C  
HETATM   23  C   UNL     1       5.762  -4.423  -1.790  1.00  0.00           C  
HETATM   24  C   UNL     1       5.275  -5.074  -0.494  1.00  0.00           C  
HETATM   25  C   UNL     1       4.100  -2.940  -0.107  1.00  0.00           C  
HETATM   26  C   UNL     1       3.730   0.444  -1.561  1.00  0.00           C  
HETATM   27  C   UNL     1       3.469   1.721  -0.804  1.00  0.00           C  
HETATM   28  C   UNL     1       3.282   2.973   1.278  1.00  0.00           C  
HETATM   29  C   UNL     1       3.417   2.717   2.757  1.00  0.00           C  
HETATM   30  C   UNL     1       4.643   2.872   3.376  1.00  0.00           C  
HETATM   31  C   UNL     1       4.768   2.637   4.732  1.00  0.00           C  
HETATM   32  C   UNL     1       3.666   2.246   5.470  1.00  0.00           C  
HETATM   33  C   UNL     1       2.439   2.091   4.851  1.00  0.00           C  
HETATM   34  C   UNL     1       2.314   2.331   3.496  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.142  -0.390  -0.416  1.00  0.00           N  
HETATM   36  N   UNL     1       1.333  -0.043  -1.609  1.00  0.00           N  
HETATM   37  N   UNL     1       4.592  -4.095   0.342  1.00  0.00           N  
HETATM   38  N   UNL     1       3.535   1.732   0.542  1.00  0.00           N  
HETATM   39  O   UNL     1       0.300  -1.291  -0.093  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.254  -1.555   1.231  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.726   0.113  -1.890  1.00  0.00           O  
HETATM   42  O   UNL     1       3.515  -2.222   0.675  1.00  0.00           O  
HETATM   43  O   UNL     1       3.716   0.712  -2.965  1.00  0.00           O  
HETATM   44  O   UNL     1       3.200   2.739  -1.406  1.00  0.00           O  
HETATM   45  H   UNL     1      -1.349   0.029  -2.312  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.870   1.882   0.064  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.197   2.132  -1.564  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.173   1.883  -0.940  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.654   2.717  -3.453  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.512   1.175  -3.223  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.912   2.796  -4.473  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.639   2.408  -2.895  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.934   4.862  -3.514  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.704   4.848  -3.329  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.594   5.570  -1.232  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.453   4.028  -1.002  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.194   3.950   0.018  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.468   4.338  -1.560  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.266  -0.658  -1.171  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.549  -1.834   0.442  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.061  -2.976   2.543  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.270  -3.498   4.144  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.945  -2.883   3.661  1.00  0.00           H  
HETATM   64  H   UNL     1       2.652  -0.782  -0.155  1.00  0.00           H  
HETATM   65  H   UNL     1       2.098  -2.581  -1.806  1.00  0.00           H  
HETATM   66  H   UNL     1       2.959  -1.660  -3.062  1.00  0.00           H  
HETATM   67  H   UNL     1       5.018  -1.727  -1.595  1.00  0.00           H  
HETATM   68  H   UNL     1       3.732  -4.331  -2.521  1.00  0.00           H  
HETATM   69  H   UNL     1       4.883  -3.305  -3.416  1.00  0.00           H  
HETATM   70  H   UNL     1       6.118  -5.193  -2.474  1.00  0.00           H  
HETATM   71  H   UNL     1       6.571  -3.726  -1.570  1.00  0.00           H  
HETATM   72  H   UNL     1       4.588  -5.885  -0.735  1.00  0.00           H  
HETATM   73  H   UNL     1       6.130  -5.475   0.050  1.00  0.00           H  
HETATM   74  H   UNL     1       4.703   0.045  -1.276  1.00  0.00           H  
HETATM   75  H   UNL     1       2.273   3.324   1.061  1.00  0.00           H  
HETATM   76  H   UNL     1       4.004   3.730   0.973  1.00  0.00           H  
HETATM   77  H   UNL     1       5.504   3.177   2.799  1.00  0.00           H  
HETATM   78  H   UNL     1       5.726   2.758   5.216  1.00  0.00           H  
HETATM   79  H   UNL     1       3.763   2.062   6.530  1.00  0.00           H  
HETATM   80  H   UNL     1       1.579   1.785   5.427  1.00  0.00           H  
HETATM   81  H   UNL     1       1.356   2.210   3.012  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.904  -0.786   0.437  1.00  0.00           H  
HETATM   83  H   UNL     1       1.264   0.593  -2.338  1.00  0.00           H  
HETATM   84  H   UNL     1       4.488  -4.297   1.286  1.00  0.00           H  
HETATM   85  H   UNL     1       3.750   0.918   1.024  1.00  0.00           H  
HETATM   86  H   UNL     1       2.878   1.069  -3.289  1.00  0.00           H  
CONECT    1   36   39   39    2                                       
CONECT    2    1   35    3   45                                       
CONECT    3    2    4   46   47                                       
CONECT    4    3    5    9   48                                       
CONECT    5    4    6   49   50                                       
CONECT    6    5    7   51   52                                       
CONECT    7    6    8   53   54                                       
CONECT    8    9    7   55   56                                       
CONECT    9    4    8   57   58                                       
CONECT   10   41   41   11   35                                       
CONECT   11   12   12   10   40                                       
CONECT   12   11   11   13   59                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   60                                       
CONECT   15   14   16   16   61                                       
CONECT   16   15   15   17   62                                       
CONECT   17   18   18   16   63                                       
CONECT   18   13   40   17   17                                       
CONECT   19   20   26   36   64                                       
CONECT   20   21   19   65   66                                       
CONECT   21   25   20   22   67                                       
CONECT   22   23   21   68   69                                       
CONECT   23   24   22   70   71                                       
CONECT   24   37   23   72   73                                       
CONECT   25   37   42   42   21                                       
CONECT   26   27   19   43   74                                       
CONECT   27   44   44   26   38                                       
CONECT   28   29   38   75   76                                       
CONECT   29   34   28   30   30                                       
CONECT   30   29   29   31   77                                       
CONECT   31   32   32   30   78                                       
CONECT   32   33   31   31   79                                       
CONECT   33   34   34   32   80                                       
CONECT   34   33   33   29   81                                       
CONECT   35   10    2   82                                            
CONECT   36   19    1   83                                            
CONECT   37   24   25   84                                            
CONECT   38   27   28   85                                            
CONECT   39    1    1                                                 
CONECT   40   11   18                                                 
CONECT   41   10   10                                                 
CONECT   42   25   25                                                 
CONECT   43   26   86                                                 
CONECT   44   27   27                                                 
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    9                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
