COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.373   0.406   0.366  1.00  0.00           C  
HETATM    2  C   UNL     1       9.023   0.881   1.490  1.00  0.00           C  
HETATM    3  C   UNL     1      10.058   0.154   2.048  1.00  0.00           C  
HETATM    4  C   UNL     1      10.441  -1.049   1.483  1.00  0.00           C  
HETATM    5  C   UNL     1       9.791  -1.523   0.360  1.00  0.00           C  
HETATM    6  C   UNL     1       8.752  -0.799  -0.195  1.00  0.00           C  
HETATM    7  C   UNL     1       7.245   1.199  -0.243  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.601   1.374  -0.447  1.00  0.00           C  
HETATM    9  C   UNL     1       4.809   1.182  -0.242  1.00  0.00           C  
HETATM   10  O   UNL     1       4.831   2.147  -0.977  1.00  0.00           O  
HETATM   11  C   UNL     1       3.490   0.599   0.197  1.00  0.00           C  
HETATM   12  C   UNL     1       3.397  -0.856  -0.265  1.00  0.00           C  
HETATM   13  N   UNL     1       2.394   1.370  -0.396  1.00  0.00           N  
HETATM   14  C   UNL     1       2.116  -1.485   0.286  1.00  0.00           C  
HETATM   15  C   UNL     1       1.186   1.393   0.202  1.00  0.00           C  
HETATM   16  O   UNL     1       0.982   0.709   1.182  1.00  0.00           O  
HETATM   17  C   UNL     1       0.090   2.268  -0.349  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.213   1.685  -0.017  1.00  0.00           N  
HETATM   19  C   UNL     1       0.195   3.665   0.267  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.911   4.460  -0.166  1.00  0.00           O  
HETATM   21  C   UNL     1       2.025  -2.919  -0.169  1.00  0.00           C  
HETATM   22  C   UNL     1       2.575  -3.925   0.603  1.00  0.00           C  
HETATM   23  C   UNL     1       1.385  -3.229  -1.355  1.00  0.00           C  
HETATM   24  C   UNL     1       2.491  -5.241   0.185  1.00  0.00           C  
HETATM   25  C   UNL     1       1.857  -5.550  -1.003  1.00  0.00           C  
HETATM   26  C   UNL     1       1.302  -4.544  -1.772  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.289   1.961  -0.780  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.178   2.694  -1.744  1.00  0.00           O  
HETATM   29  N   UNL     1       5.963   0.632   0.183  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.731   0.536   0.664  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.959  -0.005   0.976  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.067   0.281   0.187  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.941   1.114  -0.919  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.718   1.659  -1.237  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.275  -0.254   0.497  1.00  0.00           O  
HETATM   36  C   UNL     1      -8.371   0.081  -0.355  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.620  -0.600   0.142  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.438   0.037   1.057  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.583  -0.588   1.513  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.912  -1.849   1.053  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.095  -2.486   0.137  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.952  -1.859  -0.322  1.00  0.00           C  
HETATM   43  C   UNL     1       1.502   4.322  -0.181  1.00  0.00           C  
HETATM   44  C   UNL     1       8.042  -1.317  -1.419  1.00  0.00           C  
HETATM   45  H   UNL     1       8.724   1.820   1.931  1.00  0.00           H  
HETATM   46  H   UNL     1      10.566   0.525   2.926  1.00  0.00           H  
HETATM   47  H   UNL     1      11.250  -1.617   1.920  1.00  0.00           H  
HETATM   48  H   UNL     1      10.091  -2.462  -0.081  1.00  0.00           H  
HETATM   49  H   UNL     1       7.311   2.236   0.086  1.00  0.00           H  
HETATM   50  H   UNL     1       7.318   1.157  -1.330  1.00  0.00           H  
HETATM   51  H   UNL     1       3.418   0.641   1.283  1.00  0.00           H  
HETATM   52  H   UNL     1       3.380  -0.892  -1.354  1.00  0.00           H  
HETATM   53  H   UNL     1       4.261  -1.410   0.103  1.00  0.00           H  
HETATM   54  H   UNL     1       2.538   1.864  -1.218  1.00  0.00           H  
HETATM   55  H   UNL     1       2.133  -1.450   1.375  1.00  0.00           H  
HETATM   56  H   UNL     1       1.252  -0.932  -0.082  1.00  0.00           H  
HETATM   57  H   UNL     1       0.191   2.339  -1.431  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.301   1.100   0.752  1.00  0.00           H  
HETATM   59  H   UNL     1       0.182   3.585   1.354  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.774   4.103   0.083  1.00  0.00           H  
HETATM   61  H   UNL     1       3.071  -3.684   1.531  1.00  0.00           H  
HETATM   62  H   UNL     1       0.951  -2.443  -1.955  1.00  0.00           H  
HETATM   63  H   UNL     1       2.922  -6.027   0.788  1.00  0.00           H  
HETATM   64  H   UNL     1       1.792  -6.577  -1.329  1.00  0.00           H  
HETATM   65  H   UNL     1       0.802  -4.786  -2.699  1.00  0.00           H  
HETATM   66  H   UNL     1       5.946  -0.139   0.771  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.871   0.313   1.277  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.060  -0.653   1.834  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.805   1.333  -1.530  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.621   2.307  -2.096  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.519   1.161  -0.349  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.156  -0.250  -1.371  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.181   1.022   1.416  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.221  -0.091   2.228  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.807  -2.338   1.409  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.352  -3.472  -0.222  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.316  -2.355  -1.041  1.00  0.00           H  
HETATM   78  H   UNL     1       1.563   4.306  -1.269  1.00  0.00           H  
HETATM   79  H   UNL     1       1.528   5.354   0.169  1.00  0.00           H  
HETATM   80  H   UNL     1       2.346   3.775   0.239  1.00  0.00           H  
HETATM   81  H   UNL     1       7.203  -1.942  -1.116  1.00  0.00           H  
HETATM   82  H   UNL     1       7.676  -0.477  -2.009  1.00  0.00           H  
HETATM   83  H   UNL     1       8.736  -1.906  -2.019  1.00  0.00           H  
CONECT    1    6    6    7    2                                       
CONECT    2    1    3    3   45                                       
CONECT    3    2    2    4   46                                       
CONECT    4    3    5    5   47                                       
CONECT    5    4    4    6   48                                       
CONECT    6    1    1    5   44                                       
CONECT    7    1   29   49   50                                       
CONECT    8   27   34   34   30                                       
CONECT    9   29   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   13   51                                       
CONECT   12   11   14   52   53                                       
CONECT   13   11   15   54                                            
CONECT   14   12   21   55   56                                       
CONECT   15   13   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   19   18   57                                       
CONECT   18   17   27   58                                            
CONECT   19   17   43   20   59                                       
CONECT   20   19   60                                                 
CONECT   21   14   23   23   22                                       
CONECT   22   21   24   24   61                                       
CONECT   23   21   21   26   62                                       
CONECT   24   22   22   25   63                                       
CONECT   25   24   26   26   64                                       
CONECT   26   23   25   25   65                                       
CONECT   27    8   18   28   28                                       
CONECT   28   27   27                                                 
CONECT   29    7    9   66                                            
CONECT   30    8   31   31   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   31   33   33   35                                       
CONECT   33   32   32   34   69                                       
CONECT   34    8    8   33   70                                       
CONECT   35   32   36                                                 
CONECT   36   35   37   71   72                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   73                                       
CONECT   39   38   40   40   74                                       
CONECT   40   39   39   41   75                                       
CONECT   41   40   42   42   76                                       
CONECT   42   37   41   41   77                                       
CONECT   43   19   78   79   80                                       
CONECT   44    6   81   82   83                                       
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
