COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.882  -1.106   0.308  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.879  -0.066  -0.317  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.155   0.720  -0.476  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.295  -0.006   0.241  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.538   0.761   0.086  1.00  0.00           N  
HETATM    6  C   UNL     1     -10.681   0.030   0.647  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.748  -1.366   0.024  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.821  -1.242  -1.499  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.974   0.788   0.339  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.894   2.191   0.947  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.668   2.914   0.383  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.413   2.094   0.689  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.735   0.388  -0.865  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.535  -0.289  -0.636  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.545  -1.687  -0.544  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.406  -2.390  -0.322  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.375   0.430  -0.512  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.160  -0.244  -0.281  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.020   0.430  -0.157  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.180  -1.707  -0.180  1.00  0.00           C  
HETATM   21  C   UNL     1       0.011  -2.399   0.049  1.00  0.00           C  
HETATM   22  C   UNL     1       1.185  -1.655   0.179  1.00  0.00           C  
HETATM   23  C   UNL     1       2.426  -2.283   0.413  1.00  0.00           C  
HETATM   24  C   UNL     1       3.548  -1.530   0.535  1.00  0.00           C  
HETATM   25  C   UNL     1       3.505  -0.133   0.434  1.00  0.00           C  
HETATM   26  C   UNL     1       2.330   0.535   0.209  1.00  0.00           C  
HETATM   27  C   UNL     1       1.134  -0.194   0.061  1.00  0.00           C  
HETATM   28  N   UNL     1       4.689   0.596   0.567  1.00  0.00           N  
HETATM   29  C   UNL     1       5.849   0.088   0.106  1.00  0.00           C  
HETATM   30  O   UNL     1       5.851  -0.958  -0.507  1.00  0.00           O  
HETATM   31  C   UNL     1       7.143   0.821   0.352  1.00  0.00           C  
HETATM   32  C   UNL     1       8.299   0.036  -0.271  1.00  0.00           C  
HETATM   33  N   UNL     1       9.560   0.750  -0.032  1.00  0.00           N  
HETATM   34  C   UNL     1      10.714  -0.083  -0.396  1.00  0.00           C  
HETATM   35  C   UNL     1      10.627  -1.423   0.338  1.00  0.00           C  
HETATM   36  C   UNL     1      10.529  -1.174   1.844  1.00  0.00           C  
HETATM   37  C   UNL     1      12.007   0.633   0.002  1.00  0.00           C  
HETATM   38  C   UNL     1      12.080   1.982  -0.719  1.00  0.00           C  
HETATM   39  C   UNL     1      10.843   2.810  -0.361  1.00  0.00           C  
HETATM   40  C   UNL     1       9.584   2.032  -0.748  1.00  0.00           C  
HETATM   41  H   UNL     1      -7.026   1.712  -0.042  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.393   0.815  -1.535  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.423  -0.998  -0.193  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.056  -0.101   1.300  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.561  -0.060   1.726  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.858  -1.931   0.300  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.635  -1.885   0.389  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.778  -2.235  -1.947  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.757  -0.757  -1.780  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.982  -0.646  -1.856  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.102   0.866  -0.740  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.821   0.253   0.769  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.795   2.750   0.694  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.805   2.114   2.031  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.776   3.026  -0.696  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.582   3.898   0.844  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.298   1.995   1.769  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.539   2.599   0.276  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.744   1.184  -1.418  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.480  -2.216  -0.651  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.438  -3.467  -0.255  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.392   1.507  -0.591  1.00  0.00           H  
HETATM   63  H   UNL     1       0.023  -3.477   0.124  1.00  0.00           H  
HETATM   64  H   UNL     1       2.483  -3.359   0.494  1.00  0.00           H  
HETATM   65  H   UNL     1       4.495  -2.018   0.714  1.00  0.00           H  
HETATM   66  H   UNL     1       2.323   1.612   0.136  1.00  0.00           H  
HETATM   67  H   UNL     1       4.676   1.468   0.992  1.00  0.00           H  
HETATM   68  H   UNL     1       7.091   1.811  -0.100  1.00  0.00           H  
HETATM   69  H   UNL     1       7.306   0.919   1.425  1.00  0.00           H  
HETATM   70  H   UNL     1       8.351  -0.955   0.181  1.00  0.00           H  
HETATM   71  H   UNL     1       8.135  -0.062  -1.344  1.00  0.00           H  
HETATM   72  H   UNL     1      10.711  -0.257  -1.472  1.00  0.00           H  
HETATM   73  H   UNL     1       9.743  -1.965   0.001  1.00  0.00           H  
HETATM   74  H   UNL     1      11.518  -2.013   0.124  1.00  0.00           H  
HETATM   75  H   UNL     1       9.595  -0.659   2.068  1.00  0.00           H  
HETATM   76  H   UNL     1      10.554  -2.128   2.372  1.00  0.00           H  
HETATM   77  H   UNL     1      11.370  -0.559   2.166  1.00  0.00           H  
HETATM   78  H   UNL     1      12.017   0.795   1.079  1.00  0.00           H  
HETATM   79  H   UNL     1      12.863   0.021  -0.283  1.00  0.00           H  
HETATM   80  H   UNL     1      12.978   2.514  -0.406  1.00  0.00           H  
HETATM   81  H   UNL     1      12.109   1.818  -1.796  1.00  0.00           H  
HETATM   82  H   UNL     1      10.835   3.007   0.711  1.00  0.00           H  
HETATM   83  H   UNL     1      10.868   3.755  -0.904  1.00  0.00           H  
HETATM   84  H   UNL     1       9.586   1.848  -1.822  1.00  0.00           H  
HETATM   85  H   UNL     1       8.701   2.613  -0.481  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4   41   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6   12                                            
CONECT    6    5    9    7   45                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7   48   49   50                                       
CONECT    9    6   10   51   52                                       
CONECT   10    9   11   53   54                                       
CONECT   11   10   12   55   56                                       
CONECT   12    5   11   57   58                                       
CONECT   13    2   14   59                                            
CONECT   14   13   17   17   15                                       
CONECT   15   14   16   16   60                                       
CONECT   16   15   15   20   61                                       
CONECT   17   14   14   18   62                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   27                                            
CONECT   20   16   18   21   21                                       
CONECT   21   20   20   22   63                                       
CONECT   22   21   27   23   23                                       
CONECT   23   22   22   24   64                                       
CONECT   24   23   25   25   65                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   66                                       
CONECT   27   19   22   26   26                                       
CONECT   28   25   29   67                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   40                                            
CONECT   34   33   35   37   72                                       
CONECT   35   34   36   73   74                                       
CONECT   36   35   75   76   77                                       
CONECT   37   34   38   78   79                                       
CONECT   38   37   39   80   81                                       
CONECT   39   38   40   82   83                                       
CONECT   40   33   39   84   85                                       
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
