COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.297   0.270  -0.908  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.431   1.061  -0.423  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.739   0.388  -0.844  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.793   0.302  -2.269  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.805  -1.018  -0.245  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.169  -1.639  -0.551  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.178  -3.100  -0.097  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.244  -0.879   0.183  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.948   0.067   0.882  1.00  0.00           O  
HETATM   10  N   UNL     1      -6.534  -1.250   0.062  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.578  -0.511   0.775  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.943  -1.132   0.469  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.033  -0.360   1.213  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.398  -0.981   0.907  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.365   2.467  -1.022  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.137   3.175  -0.509  1.00  0.00           C  
HETATM   17  C   UNL     1       1.056   3.076  -1.199  1.00  0.00           C  
HETATM   18  C   UNL     1       2.183   3.724  -0.729  1.00  0.00           C  
HETATM   19  C   UNL     1       2.115   4.473   0.432  1.00  0.00           C  
HETATM   20  C   UNL     1       0.922   4.573   1.121  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.206   3.927   0.649  1.00  0.00           C  
HETATM   22  C   UNL     1       0.893   0.342  -0.279  1.00  0.00           C  
HETATM   23  O   UNL     1       1.025   1.062   0.688  1.00  0.00           O  
HETATM   24  C   UNL     1       2.059  -0.472  -0.778  1.00  0.00           C  
HETATM   25  C   UNL     1       3.280  -0.208   0.106  1.00  0.00           C  
HETATM   26  C   UNL     1       4.464  -1.034  -0.401  1.00  0.00           C  
HETATM   27  C   UNL     1       4.108  -2.521  -0.349  1.00  0.00           C  
HETATM   28  C   UNL     1       2.887  -2.784  -1.233  1.00  0.00           C  
HETATM   29  C   UNL     1       1.703  -1.959  -0.726  1.00  0.00           C  
HETATM   30  C   UNL     1       5.685  -0.771   0.483  1.00  0.00           C  
HETATM   31  N   UNL     1       6.848  -1.468  -0.071  1.00  0.00           N  
HETATM   32  C   UNL     1       8.043  -1.379   0.545  1.00  0.00           C  
HETATM   33  O   UNL     1       8.156  -0.722   1.559  1.00  0.00           O  
HETATM   34  C   UNL     1       9.240  -2.096  -0.024  1.00  0.00           C  
HETATM   35  C   UNL     1       5.965   0.732   0.531  1.00  0.00           C  
HETATM   36  C   UNL     1       5.410  -1.283   1.898  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.404  -0.308  -1.679  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.389   1.127   0.664  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.583   0.977  -0.483  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.072  -0.208  -2.660  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.019  -1.635  -0.679  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.666  -0.960   0.835  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.358  -1.591  -1.624  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.053  -3.145   0.985  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.126  -3.561  -0.373  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.360  -3.636  -0.579  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.771  -2.006  -0.497  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.390  -0.559   1.847  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.572   0.530   0.451  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.131  -1.084  -0.604  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.949  -2.173   0.792  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.845  -0.408   2.286  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.027   0.681   0.890  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.586  -0.933  -0.165  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.404  -2.022   1.231  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.175  -0.431   1.438  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.317   2.398  -2.109  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.254   3.027  -0.733  1.00  0.00           H  
HETATM   59  H   UNL     1       1.109   2.491  -2.106  1.00  0.00           H  
HETATM   60  H   UNL     1       3.116   3.646  -1.268  1.00  0.00           H  
HETATM   61  H   UNL     1       2.996   4.979   0.799  1.00  0.00           H  
HETATM   62  H   UNL     1       0.869   5.157   2.028  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.139   4.008   1.185  1.00  0.00           H  
HETATM   64  H   UNL     1       2.287  -0.188  -1.806  1.00  0.00           H  
HETATM   65  H   UNL     1       3.534   0.851   0.069  1.00  0.00           H  
HETATM   66  H   UNL     1       3.052  -0.492   1.133  1.00  0.00           H  
HETATM   67  H   UNL     1       4.692  -0.751  -1.428  1.00  0.00           H  
HETATM   68  H   UNL     1       4.951  -3.110  -0.710  1.00  0.00           H  
HETATM   69  H   UNL     1       3.880  -2.805   0.679  1.00  0.00           H  
HETATM   70  H   UNL     1       3.115  -2.501  -2.260  1.00  0.00           H  
HETATM   71  H   UNL     1       2.633  -3.844  -1.196  1.00  0.00           H  
HETATM   72  H   UNL     1       1.475  -2.242   0.301  1.00  0.00           H  
HETATM   73  H   UNL     1       0.833  -2.146  -1.356  1.00  0.00           H  
HETATM   74  H   UNL     1       6.758  -1.993  -0.882  1.00  0.00           H  
HETATM   75  H   UNL     1       9.436  -1.731  -1.033  1.00  0.00           H  
HETATM   76  H   UNL     1      10.110  -1.908   0.605  1.00  0.00           H  
HETATM   77  H   UNL     1       9.040  -3.167  -0.058  1.00  0.00           H  
HETATM   78  H   UNL     1       5.100   1.251   0.943  1.00  0.00           H  
HETATM   79  H   UNL     1       6.835   0.920   1.160  1.00  0.00           H  
HETATM   80  H   UNL     1       6.161   1.097  -0.477  1.00  0.00           H  
HETATM   81  H   UNL     1       5.210  -2.355   1.865  1.00  0.00           H  
HETATM   82  H   UNL     1       6.279  -1.096   2.528  1.00  0.00           H  
HETATM   83  H   UNL     1       4.544  -0.765   2.311  1.00  0.00           H  
CONECT    1    2   22   37                                            
CONECT    2    1    3   15   38                                       
CONECT    3    2    4    5   39                                       
CONECT    4    3   40                                                 
CONECT    5    3    6   41   42                                       
CONECT    6    5    7    8   43                                       
CONECT    7    6   44   45   46                                       
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   47                                            
CONECT   11   10   12   48   49                                       
CONECT   12   11   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   54   55   56                                       
CONECT   15    2   16   57   58                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   59                                       
CONECT   18   17   19   19   60                                       
CONECT   19   18   18   20   61                                       
CONECT   20   19   21   21   62                                       
CONECT   21   16   20   20   63                                       
CONECT   22    1   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   29   64                                       
CONECT   25   24   26   65   66                                       
CONECT   26   25   27   30   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   27   29   70   71                                       
CONECT   29   24   28   72   73                                       
CONECT   30   26   31   35   36                                       
CONECT   31   30   32   74                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   75   76   77                                       
CONECT   35   30   78   79   80                                       
CONECT   36   30   81   82   83                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
