COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.571   1.426  -1.301  1.00  0.00           C  
HETATM    2  C   UNL     1       1.431   0.219  -1.683  1.00  0.00           C  
HETATM    3  C   UNL     1       0.553  -0.838  -2.354  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.544  -1.280  -1.384  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.403  -0.073  -1.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.482  -0.580  -0.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.855  -1.136   1.234  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.988  -0.058   1.888  1.00  0.00           C  
HETATM    9  C   UNL     1       0.109   0.398   0.928  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.527   0.986  -0.333  1.00  0.00           C  
HETATM   11  C   UNL     1       0.958   1.473   1.614  1.00  0.00           C  
HETATM   12  C   UNL     1       1.639   0.852   2.831  1.00  0.00           C  
HETATM   13  C   UNL     1       0.601   0.373   3.848  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.430  -0.552   3.180  1.00  0.00           C  
HETATM   15  C   UNL     1       0.384  -1.875   2.988  1.00  0.00           C  
HETATM   16  C   UNL     1       1.228  -1.981   4.279  1.00  0.00           C  
HETATM   17  C   UNL     1       1.347  -0.553   4.844  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.071   1.548   4.561  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.387   2.193   0.045  1.00  0.00           C  
HETATM   20  C   UNL     1       0.701  -0.478   6.204  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.685  -0.953   6.568  1.00  0.00           C  
HETATM   22  C   UNL     1       1.242   0.023   7.311  1.00  0.00           C  
HETATM   23  C   UNL     1       0.289  -0.092   8.418  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.211  -1.366  -4.452  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.123  -0.917  -5.596  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.494   0.296  -6.290  1.00  0.00           C  
HETATM   27  C   UNL     1       0.938  -0.063  -6.699  1.00  0.00           C  
HETATM   28  C   UNL     1       1.694  -0.574  -5.471  1.00  0.00           C  
HETATM   29  C   UNL     1       3.137  -0.902  -5.862  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.023   1.978  -2.477  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.043  -0.287  -3.529  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.020   0.440  -2.186  1.00  0.00           O  
HETATM   33  O   UNL     1       1.945   1.959   0.703  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.506  -0.793   4.088  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.981   2.743  -1.132  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.847  -0.670   7.986  1.00  0.00           O  
HETATM   37  O   UNL     1       0.494   0.279   9.557  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.271  -1.984  -6.536  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.257   0.634  -7.449  1.00  0.00           O  
HETATM   40  O   UNL     1       1.593   1.097  -7.215  1.00  0.00           O  
HETATM   41  O   UNL     1       1.060  -1.749  -4.970  1.00  0.00           O  
HETATM   42  H   UNL     1       1.197   2.180  -0.822  1.00  0.00           H  
HETATM   43  H   UNL     1       1.886  -0.200  -0.786  1.00  0.00           H  
HETATM   44  H   UNL     1       2.213   0.534  -2.374  1.00  0.00           H  
HETATM   45  H   UNL     1       1.165  -1.698  -2.626  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.168  -2.032  -1.867  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.094  -1.703  -0.486  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.099  -1.348  -0.511  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.101   0.283   0.199  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.237  -2.001   0.989  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.643  -1.437   1.924  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.609   0.814   2.088  1.00  0.00           H  
HETATM   53  H   UNL     1       0.738  -0.450   0.659  1.00  0.00           H  
HETATM   54  H   UNL     1       0.318   2.296   1.933  1.00  0.00           H  
HETATM   55  H   UNL     1       2.243   0.003   2.509  1.00  0.00           H  
HETATM   56  H   UNL     1       2.285   1.594   3.299  1.00  0.00           H  
HETATM   57  H   UNL     1       1.029  -1.801   2.113  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.288  -2.728   2.899  1.00  0.00           H  
HETATM   59  H   UNL     1       2.218  -2.374   4.047  1.00  0.00           H  
HETATM   60  H   UNL     1       0.729  -2.628   5.000  1.00  0.00           H  
HETATM   61  H   UNL     1       2.396  -0.263   4.912  1.00  0.00           H  
HETATM   62  H   UNL     1       0.661   2.067   5.178  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.477   2.238   3.821  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.879   1.176   5.192  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.170   1.880   0.735  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.763   2.949   0.523  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.436  -0.416   5.990  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.768  -2.025   6.388  1.00  0.00           H  
HETATM   69  H   UNL     1       2.232   0.450   7.383  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.664  -2.214  -3.938  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.100  -0.644  -5.198  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.478   1.142  -5.603  1.00  0.00           H  
HETATM   73  H   UNL     1       0.915  -0.838  -7.465  1.00  0.00           H  
HETATM   74  H   UNL     1       1.694   0.194  -4.699  1.00  0.00           H  
HETATM   75  H   UNL     1       3.677  -1.265  -4.987  1.00  0.00           H  
HETATM   76  H   UNL     1       3.138  -1.672  -6.634  1.00  0.00           H  
HETATM   77  H   UNL     1       3.623  -0.004  -6.243  1.00  0.00           H  
HETATM   78  H   UNL     1       0.700   2.208  -3.075  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.516  -0.289  -2.582  1.00  0.00           H  
HETATM   80  H   UNL     1       2.455   2.631   1.175  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.069  -1.466   3.682  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.513   3.499  -0.850  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.663  -2.726  -6.056  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.151   0.839  -7.145  1.00  0.00           H  
HETATM   85  H   UNL     1       2.489   0.827  -7.459  1.00  0.00           H  
CONECT    1    2   10   30   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4   31   45                                       
CONECT    4    3    5   46   47                                       
CONECT    5    4    6   10   32                                       
CONECT    6    5    7   48   49                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9   14   52                                       
CONECT    9    8   10   11   53                                       
CONECT   10    1    5    9   19                                       
CONECT   11    9   12   33   54                                       
CONECT   12   11   13   55   56                                       
CONECT   13   12   14   17   18                                       
CONECT   14    8   13   15   34                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   59   60                                       
CONECT   17   13   16   20   61                                       
CONECT   18   13   62   63   64                                       
CONECT   19   10   35   65   66                                       
CONECT   20   17   21   22   22                                       
CONECT   21   20   36   67   68                                       
CONECT   22   20   20   23   69                                       
CONECT   23   22   36   37   37                                       
CONECT   24   25   31   41   70                                       
CONECT   25   24   26   38   71                                       
CONECT   26   25   27   39   72                                       
CONECT   27   26   28   40   73                                       
CONECT   28   27   29   41   74                                       
CONECT   29   28   75   76   77                                       
CONECT   30    1   78                                                 
CONECT   31    3   24                                                 
CONECT   32    5   79                                                 
CONECT   33   11   80                                                 
CONECT   34   14   81                                                 
CONECT   35   19   82                                                 
CONECT   36   21   23                                                 
CONECT   37   23   23                                                 
CONECT   38   25   83                                                 
CONECT   39   26   84                                                 
CONECT   40   27   85                                                 
CONECT   41   24   28                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
