COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.045   1.196   1.761  1.00  0.00           C  
HETATM    2  C   UNL     1       0.303   2.470   2.534  1.00  0.00           C  
HETATM    3  C   UNL     1       0.594   3.583   1.558  1.00  0.00           C  
HETATM    4  C   UNL     1       1.942   4.495  -0.201  1.00  0.00           C  
HETATM    5  C   UNL     1       1.125   5.615  -0.244  1.00  0.00           C  
HETATM    6  C   UNL     1       0.051   5.717   0.620  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.214   4.702   1.519  1.00  0.00           C  
HETATM    8  C   UNL     1       3.096   3.190  -1.812  1.00  0.00           C  
HETATM    9  C   UNL     1       4.412   2.483  -1.489  1.00  0.00           C  
HETATM   10  C   UNL     1       4.234   0.975  -1.685  1.00  0.00           C  
HETATM   11  C   UNL     1       5.447   0.242  -1.109  1.00  0.00           C  
HETATM   12  C   UNL     1       4.280  -1.802  -0.443  1.00  0.00           C  
HETATM   13  C   UNL     1       3.319  -1.022   0.174  1.00  0.00           C  
HETATM   14  C   UNL     1       2.359  -1.617   1.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.407  -2.989   1.235  1.00  0.00           C  
HETATM   16  C   UNL     1       3.383  -3.770   0.615  1.00  0.00           C  
HETATM   17  C   UNL     1       4.317  -3.172  -0.236  1.00  0.00           C  
HETATM   18  C   UNL     1       3.430  -5.221   0.858  1.00  0.00           C  
HETATM   19  C   UNL     1       2.423  -5.865   1.776  1.00  0.00           C  
HETATM   20  C   UNL     1       1.268  -0.815   1.588  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.872   1.560   0.526  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.296   0.280  -0.199  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.596  -0.575  -2.053  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.293  -0.751  -3.543  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.580  -1.625  -2.509  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.928  -1.068  -1.550  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.548  -0.429  -0.493  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.770  -0.882  -0.031  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.372  -1.973  -0.627  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.753  -2.612  -1.685  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.534  -2.157  -2.150  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.444  -0.185   1.122  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.834   0.288   0.690  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.578  -1.156   2.297  1.00  0.00           C  
HETATM   35  C   UNL     1       1.675   3.477   0.703  1.00  0.00           C  
HETATM   36  N   UNL     1       1.202   0.522   1.337  1.00  0.00           N  
HETATM   37  N   UNL     1       5.259  -1.214  -1.281  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.076   0.630  -1.393  1.00  0.00           N  
HETATM   39  O   UNL     1       3.002   4.395  -1.048  1.00  0.00           O  
HETATM   40  O   UNL     1       4.279  -5.899   0.318  1.00  0.00           O  
HETATM   41  O   UNL     1       0.431  -1.345   2.293  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.035   2.286   0.929  1.00  0.00           O  
HETATM   43  H   UNL     1      -0.620   0.528   2.401  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.538   2.752   3.168  1.00  0.00           H  
HETATM   45  H   UNL     1       1.182   2.291   3.154  1.00  0.00           H  
HETATM   46  H   UNL     1       1.329   6.406  -0.950  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.583   6.591   0.591  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.055   4.783   2.192  1.00  0.00           H  
HETATM   49  H   UNL     1       3.064   3.430  -2.875  1.00  0.00           H  
HETATM   50  H   UNL     1       2.261   2.535  -1.563  1.00  0.00           H  
HETATM   51  H   UNL     1       5.194   2.848  -2.155  1.00  0.00           H  
HETATM   52  H   UNL     1       4.690   2.687  -0.454  1.00  0.00           H  
HETATM   53  H   UNL     1       3.332   0.645  -1.170  1.00  0.00           H  
HETATM   54  H   UNL     1       4.148   0.754  -2.749  1.00  0.00           H  
HETATM   55  H   UNL     1       6.347   0.558  -1.636  1.00  0.00           H  
HETATM   56  H   UNL     1       5.544   0.475  -0.049  1.00  0.00           H  
HETATM   57  H   UNL     1       3.309   0.047   0.018  1.00  0.00           H  
HETATM   58  H   UNL     1       1.689  -3.449   1.898  1.00  0.00           H  
HETATM   59  H   UNL     1       5.064  -3.776  -0.730  1.00  0.00           H  
HETATM   60  H   UNL     1       1.551  -6.174   1.200  1.00  0.00           H  
HETATM   61  H   UNL     1       2.871  -6.737   2.252  1.00  0.00           H  
HETATM   62  H   UNL     1       2.119  -5.150   2.540  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.274   2.176  -0.144  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.409  -0.280  -0.495  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.905  -0.330   0.468  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.058  -1.223  -4.159  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.709   0.027  -4.033  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.526  -1.421  -2.319  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.876  -2.672  -2.445  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.077   0.424  -0.027  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.326  -2.327  -0.266  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.224  -3.466  -2.151  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.050  -2.656  -2.977  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.847   0.674   1.427  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.284   0.873   1.492  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.746   0.904  -0.205  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.461  -0.577   0.475  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.124  -2.043   1.974  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.586  -1.446   2.644  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.120  -0.671   3.109  1.00  0.00           H  
HETATM   81  H   UNL     1       2.309   2.603   0.739  1.00  0.00           H  
HETATM   82  H   UNL     1       1.928   1.001   0.908  1.00  0.00           H  
HETATM   83  H   UNL     1       5.770  -1.732  -1.924  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.528   1.185  -2.033  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.616   1.797   1.528  1.00  0.00           H  
CONECT    1   21    2   36   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    7    2   35   35                                       
CONECT    4    5    5   35   39                                       
CONECT    5    6    4    4   46                                       
CONECT    6    7    7    5   47                                       
CONECT    7    6    6    3   48                                       
CONECT    8   39    9   49   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10   11    9   53   54                                       
CONECT   11   37   10   55   56                                       
CONECT   12   13   13   17   37                                       
CONECT   13   14   12   12   57                                       
CONECT   14   20   15   15   13                                       
CONECT   15   14   14   16   58                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16   12   59                                       
CONECT   18   40   40   16   19                                       
CONECT   19   18   60   61   62                                       
CONECT   20   41   41   36   14                                       
CONECT   21   42   22    1   63                                       
CONECT   22   38   21   64   65                                       
CONECT   23   26   24   25   38                                       
CONECT   24   23   25   66   67                                       
CONECT   25   24   23   68   69                                       
CONECT   26   27   27   31   23                                       
CONECT   27   28   26   26   70                                       
CONECT   28   32   29   29   27                                       
CONECT   29   28   28   30   71                                       
CONECT   30   29   31   31   72                                       
CONECT   31   30   30   26   73                                       
CONECT   32   33   34   28   74                                       
CONECT   33   32   75   76   77                                       
CONECT   34   32   78   79   80                                       
CONECT   35    3    3    4   81                                       
CONECT   36    1   20   82                                            
CONECT   37   12   11   83                                            
CONECT   38   23   22   84                                            
CONECT   39    4    8                                                 
CONECT   40   18   18                                                 
CONECT   41   20   20                                                 
CONECT   42   21   85                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
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   13                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
