COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.549   1.636  -0.829  1.00  0.00           C  
HETATM    2  C   UNL     1       3.255   0.549  -1.324  1.00  0.00           C  
HETATM    3  C   UNL     1       2.662  -0.299  -2.252  1.00  0.00           C  
HETATM    4  O   UNL     1       4.400  -1.852  -1.381  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.709   1.776  -0.116  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.826   2.870  -0.251  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.055   1.429   0.736  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.052   0.057   0.470  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.157  -0.700   0.760  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.288  -0.100   1.322  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.291   1.273   1.588  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.185   2.030   1.298  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.478  -0.915   1.634  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.902  -2.869   1.221  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.817  -3.028   0.003  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.882  -3.791  -2.294  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.021  -2.449  -1.521  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.028  -2.269  -0.361  1.00  0.00           C  
HETATM   19  C   UNL     1       5.058  -0.946  -0.909  1.00  0.00           C  
HETATM   20  C   UNL     1       6.401  -1.218  -0.354  1.00  0.00           C  
HETATM   21  C   UNL     1       7.156  -0.181   0.194  1.00  0.00           C  
HETATM   22  C   UNL     1       8.409  -0.441   0.710  1.00  0.00           C  
HETATM   23  C   UNL     1       8.917  -1.728   0.684  1.00  0.00           C  
HETATM   24  C   UNL     1       8.173  -2.761   0.141  1.00  0.00           C  
HETATM   25  C   UNL     1       6.917  -2.515  -0.372  1.00  0.00           C  
HETATM   26  C   UNL     1      10.286  -2.006   1.249  1.00  0.00           C  
HETATM   27  C   UNL     1      10.313  -1.625   2.730  1.00  0.00           C  
HETATM   28  C   UNL     1      10.608  -3.494   1.098  1.00  0.00           C  
HETATM   29  C   UNL     1      11.327  -1.180   0.491  1.00  0.00           C  
HETATM   30  N   UNL     1       4.562   0.307  -0.890  1.00  0.00           N  
HETATM   31  C   UNL     1       1.371  -0.064  -2.684  1.00  0.00           C  
HETATM   32  C   UNL     1       0.661   1.015  -2.197  1.00  0.00           C  
HETATM   33  C   UNL     1       1.245   1.869  -1.260  1.00  0.00           C  
HETATM   34  C   UNL     1       3.189   2.557   0.178  1.00  0.00           C  
HETATM   35  C   UNL     1       0.486   3.027  -0.736  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.503   4.010   0.237  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.874   5.181   0.217  1.00  0.00           N  
HETATM   38  C   UNL     1       0.354   5.279  -0.248  1.00  0.00           C  
HETATM   39  N   UNL     1       1.026   4.244  -0.712  1.00  0.00           N  
HETATM   40  C   UNL     1      -2.862   2.243   0.429  1.00  0.00           C  
HETATM   41  N   UNL     1      -2.743   3.601   0.646  1.00  0.00           N  
HETATM   42  O   UNL     1      -8.178  -0.629   2.586  1.00  0.00           O  
HETATM   43  N   UNL     1      -7.790  -1.975   0.862  1.00  0.00           N  
HETATM   44  N   UNL     1      -9.019  -3.462  -1.152  1.00  0.00           N  
HETATM   45  H   UNL     1       3.213  -1.145  -2.637  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.506   0.753  -0.398  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.179  -0.407   0.035  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.155  -1.760   0.554  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.164   1.737   2.022  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.188   3.090   1.504  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.465  -2.438   2.049  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.509  -3.843   1.513  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.582  -3.774   0.217  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.292  -2.073  -0.222  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.459  -2.911  -2.579  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.266  -4.109  -3.135  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.561  -4.597  -2.016  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.520  -1.501  -1.723  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.484  -2.775  -2.411  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.453  -3.185  -0.225  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.353  -1.442  -0.582  1.00  0.00           H  
HETATM   62  H   UNL     1       6.761   0.824   0.215  1.00  0.00           H  
HETATM   63  H   UNL     1       8.995   0.361   1.134  1.00  0.00           H  
HETATM   64  H   UNL     1       8.576  -3.763   0.124  1.00  0.00           H  
HETATM   65  H   UNL     1       6.335  -3.323  -0.791  1.00  0.00           H  
HETATM   66  H   UNL     1       9.571  -2.214   3.270  1.00  0.00           H  
HETATM   67  H   UNL     1      11.304  -1.826   3.139  1.00  0.00           H  
HETATM   68  H   UNL     1      10.084  -0.565   2.837  1.00  0.00           H  
HETATM   69  H   UNL     1      10.588  -3.765   0.043  1.00  0.00           H  
HETATM   70  H   UNL     1      11.598  -3.695   1.507  1.00  0.00           H  
HETATM   71  H   UNL     1       9.866  -4.082   1.638  1.00  0.00           H  
HETATM   72  H   UNL     1      11.098  -0.120   0.598  1.00  0.00           H  
HETATM   73  H   UNL     1      12.318  -1.381   0.899  1.00  0.00           H  
HETATM   74  H   UNL     1      11.308  -1.451  -0.565  1.00  0.00           H  
HETATM   75  H   UNL     1       5.113   1.042  -0.576  1.00  0.00           H  
HETATM   76  H   UNL     1       0.915  -0.726  -3.405  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.348   1.196  -2.537  1.00  0.00           H  
HETATM   78  H   UNL     1       3.775   3.314  -0.343  1.00  0.00           H  
HETATM   79  H   UNL     1       2.414   3.042   0.771  1.00  0.00           H  
HETATM   80  H   UNL     1       3.842   1.981   0.835  1.00  0.00           H  
HETATM   81  H   UNL     1       0.831   6.248  -0.247  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.428   4.173   1.027  1.00  0.00           H  
CONECT    1   33   33    2   34                                       
CONECT    2    3    3    1   30                                       
CONECT    3   31    2    2   45                                       
CONECT    4   19   19                                                 
CONECT    5    6   40   40   46                                       
CONECT    6   35   35   36    5                                       
CONECT    7   40    8    8   12                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    9    9   11   13                                       
CONECT   11   12   12   10   49                                       
CONECT   12    7   11   11   50                                       
CONECT   13   10   42   42   43                                       
CONECT   14   43   15   51   52                                       
CONECT   15   14   44   53   54                                       
CONECT   16   44   55   56   57                                       
CONECT   17   18   44   58   59                                       
CONECT   18   43   17   60   61                                       
CONECT   19    4    4   30   20                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   62                                       
CONECT   22   21   23   23   63                                       
CONECT   23   22   22   24   26                                       
CONECT   24   25   25   23   64                                       
CONECT   25   20   24   24   65                                       
CONECT   26   29   23   27   28                                       
CONECT   27   26   66   67   68                                       
CONECT   28   26   69   70   71                                       
CONECT   29   26   72   73   74                                       
CONECT   30   19    2   75                                            
CONECT   31   32   32    3   76                                       
CONECT   32   31   31   33   77                                       
CONECT   33   32   35    1    1                                       
CONECT   34    1   78   79   80                                       
CONECT   35   39   33    6    6                                       
CONECT   36   37   37    6   41                                       
CONECT   37   38   36   36                                            
CONECT   38   39   39   37   81                                       
CONECT   39   38   38   35                                            
CONECT   40   41    5    5    7                                       
CONECT   41   36   40   82                                            
CONECT   42   13   13                                                 
CONECT   43   13   14   18                                            
CONECT   44   15   17   16                                            
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   38                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
