COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.837  -0.783   1.100  1.00  0.00           C  
HETATM    2  C   UNL     1       4.963  -1.820   1.066  1.00  0.00           C  
HETATM    3  C   UNL     1       4.802  -2.695  -0.181  1.00  0.00           C  
HETATM    4  C   UNL     1       3.414  -3.343  -0.161  1.00  0.00           C  
HETATM    5  C   UNL     1       2.349  -2.247  -0.079  1.00  0.00           C  
HETATM    6  C   UNL     1       0.962  -2.888   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       3.078   1.209   0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       4.878   2.580   0.797  1.00  0.00           C  
HETATM    9  C   UNL     1       5.276   3.518   1.938  1.00  0.00           C  
HETATM   10  C   UNL     1       4.955   3.333  -0.534  1.00  0.00           C  
HETATM   11  C   UNL     1       4.498   2.406  -1.664  1.00  0.00           C  
HETATM   12  C   UNL     1       3.082   1.907  -1.359  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.377  -2.363   0.030  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.358  -1.190  -0.022  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.791  -1.720   0.053  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.772  -0.547   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.205  -1.077   0.076  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.186   0.096   0.024  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.619  -0.434   0.099  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.600   0.739   0.047  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.033   0.209   0.122  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.014   1.382   0.070  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.448   0.852   0.144  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.429   2.025   0.092  1.00  0.00           C  
HETATM   25  O   UNL     1       3.939   0.069  -0.043  1.00  0.00           O  
HETATM   26  O   UNL     1       6.226  -1.153   1.023  1.00  0.00           O  
HETATM   27  O   UNL     1       5.805  -3.713  -0.183  1.00  0.00           O  
HETATM   28  O   UNL     1       3.226  -4.106  -1.355  1.00  0.00           O  
HETATM   29  O   UNL     1       2.574  -1.451   1.086  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.038  -1.868  -0.040  1.00  0.00           O  
HETATM   31  O   UNL     1       3.542   2.117   1.004  1.00  0.00           O  
HETATM   32  O   UNL     1       5.316   2.785   3.165  1.00  0.00           O  
HETATM   33  O   UNL     1       6.302   3.749  -0.770  1.00  0.00           O  
HETATM   34  O   UNL     1       4.497   3.123  -2.900  1.00  0.00           O  
HETATM   35  O   UNL     1       2.673   0.984  -2.370  1.00  0.00           O  
HETATM   36  H   UNL     1       3.922  -0.185   2.008  1.00  0.00           H  
HETATM   37  H   UNL     1       4.910  -2.444   1.958  1.00  0.00           H  
HETATM   38  H   UNL     1       4.905  -2.079  -1.074  1.00  0.00           H  
HETATM   39  H   UNL     1       3.330  -3.998   0.706  1.00  0.00           H  
HETATM   40  H   UNL     1       2.407  -1.617  -0.967  1.00  0.00           H  
HETATM   41  H   UNL     1       0.825  -3.566  -0.841  1.00  0.00           H  
HETATM   42  H   UNL     1       0.873  -3.446   0.934  1.00  0.00           H  
HETATM   43  H   UNL     1       2.064   0.889   0.245  1.00  0.00           H  
HETATM   44  H   UNL     1       5.558   1.728   0.772  1.00  0.00           H  
HETATM   45  H   UNL     1       6.260   3.940   1.735  1.00  0.00           H  
HETATM   46  H   UNL     1       4.545   4.322   2.019  1.00  0.00           H  
HETATM   47  H   UNL     1       4.306   4.208  -0.495  1.00  0.00           H  
HETATM   48  H   UNL     1       5.176   1.556  -1.735  1.00  0.00           H  
HETATM   49  H   UNL     1       2.395   2.753  -1.337  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.514  -2.910   0.963  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.562  -3.029  -0.812  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.172  -0.524   0.821  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.221  -0.643  -0.954  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.976  -2.386  -0.789  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.928  -2.267   0.986  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.586   0.119   0.844  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.635   0.000  -0.932  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.391  -1.743  -0.767  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.342  -1.624   1.009  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.001   0.762   0.867  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.049   0.643  -0.909  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.805  -1.100  -0.744  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.756  -0.981   1.031  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.415   1.405   0.889  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.463   1.286  -0.886  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.219  -0.457  -0.721  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.170  -0.338   1.054  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.829   2.049   0.912  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.877   1.929  -0.863  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.633   0.186  -0.698  1.00  0.00           H  
HETATM   71  H   UNL     1     -13.585   0.305   1.077  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.243   2.692   0.935  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.292   2.572  -0.840  1.00  0.00           H  
HETATM   74  H   UNL     1     -15.450   1.648   0.146  1.00  0.00           H  
HETATM   75  H   UNL     1       6.392  -0.577   1.782  1.00  0.00           H  
HETATM   76  H   UNL     1       6.710  -3.373  -0.189  1.00  0.00           H  
HETATM   77  H   UNL     1       3.871  -4.817  -1.473  1.00  0.00           H  
HETATM   78  H   UNL     1       5.561   3.318   3.933  1.00  0.00           H  
HETATM   79  H   UNL     1       6.424   4.233  -1.598  1.00  0.00           H  
HETATM   80  H   UNL     1       4.217   2.596  -3.661  1.00  0.00           H  
HETATM   81  H   UNL     1       1.784   0.627  -2.240  1.00  0.00           H  
CONECT    1   25    2   29   36                                       
CONECT    2   26    3    1   37                                       
CONECT    3   27    2    4   38                                       
CONECT    4    3   28    5   39                                       
CONECT    5    4   29    6   40                                       
CONECT    6    5   30   41   42                                       
CONECT    7   12   31   25   43                                       
CONECT    8   10    9   31   44                                       
CONECT    9    8   32   45   46                                       
CONECT   10   33   11    8   47                                       
CONECT   11   34   10   12   48                                       
CONECT   12   11   35    7   49                                       
CONECT   13   30   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   56   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   62   63                                       
CONECT   20   19   21   64   65                                       
CONECT   21   20   22   66   67                                       
CONECT   22   21   23   68   69                                       
CONECT   23   22   24   70   71                                       
CONECT   24   23   72   73   74                                       
CONECT   25    7    1                                                 
CONECT   26    2   75                                                 
CONECT   27    3   76                                                 
CONECT   28    4   77                                                 
CONECT   29    1    5                                                 
CONECT   30    6   13                                                 
CONECT   31    8    7                                                 
CONECT   32    9   78                                                 
CONECT   33   10   79                                                 
CONECT   34   11   80                                                 
CONECT   35   12   81                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
