COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.221   2.176   2.181  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.077   3.706   2.109  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.119   3.675   0.977  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.674   2.232   0.718  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.523   2.114  -0.284  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.740   1.340   0.409  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.409   0.060   0.088  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.420  -0.896   0.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.134  -2.206  -0.250  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.839  -2.568  -0.571  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.524  -3.997  -0.934  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.796  -4.217  -2.424  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.834  -1.622  -0.561  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.113  -0.305  -0.228  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.977   0.685  -0.213  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.103   0.440  -1.369  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.859  -0.224  -0.956  1.00  0.00           C  
HETATM   18  C   UNL     1       0.163   0.829  -0.524  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.314   1.505   0.642  1.00  0.00           O  
HETATM   20  C   UNL     1       1.496   0.148  -0.209  1.00  0.00           C  
HETATM   21  C   UNL     1       1.344  -0.727   1.038  1.00  0.00           C  
HETATM   22  C   UNL     1       2.442  -1.759   1.063  1.00  0.00           C  
HETATM   23  C   UNL     1       3.762  -1.363   1.160  1.00  0.00           C  
HETATM   24  C   UNL     1       2.127  -3.103   0.988  1.00  0.00           C  
HETATM   25  C   UNL     1       3.133  -4.051   1.011  1.00  0.00           C  
HETATM   26  C   UNL     1       4.454  -3.654   1.108  1.00  0.00           C  
HETATM   27  C   UNL     1       4.769  -2.311   1.182  1.00  0.00           C  
HETATM   28  C   UNL     1       6.209  -1.880   1.285  1.00  0.00           C  
HETATM   29  C   UNL     1       6.593  -1.084   0.036  1.00  0.00           C  
HETATM   30  C   UNL     1       6.358   0.406   0.289  1.00  0.00           C  
HETATM   31  C   UNL     1       6.900   1.215  -0.891  1.00  0.00           C  
HETATM   32  C   UNL     1       6.357   2.644  -0.821  1.00  0.00           C  
HETATM   33  C   UNL     1       5.101   2.756  -1.688  1.00  0.00           C  
HETATM   34  C   UNL     1       3.892   3.050  -0.798  1.00  0.00           C  
HETATM   35  C   UNL     1       2.851   1.979  -0.994  1.00  0.00           C  
HETATM   36  O   UNL     1       2.310   1.834  -2.070  1.00  0.00           O  
HETATM   37  N   UNL     1       2.528   1.174   0.058  1.00  0.00           N  
HETATM   38  H   UNL     1      -3.275   1.654   2.326  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.998   1.842   2.868  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.422   4.219   3.006  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.090   4.037   1.786  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.148   3.758   1.328  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.895   4.357   0.157  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.888   2.319  -1.290  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.736   2.823  -0.026  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.432  -0.613   0.327  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.920  -2.946  -0.254  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.475  -4.203  -0.722  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.152  -4.667  -0.347  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.568  -5.250  -2.686  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.845  -4.011  -2.636  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.168  -3.546  -3.010  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.824  -1.908  -0.813  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.402   0.563   0.705  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.908   1.298  -1.863  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.065  -0.895  -0.122  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.459  -0.797  -1.793  1.00  0.00           H  
HETATM   58  H   UNL     1       0.304   1.550  -1.329  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.463   0.923   1.400  1.00  0.00           H  
HETATM   60  H   UNL     1       1.801  -0.467  -1.056  1.00  0.00           H  
HETATM   61  H   UNL     1       1.411  -0.103   1.929  1.00  0.00           H  
HETATM   62  H   UNL     1       0.376  -1.226   1.015  1.00  0.00           H  
HETATM   63  H   UNL     1       4.008  -0.313   1.219  1.00  0.00           H  
HETATM   64  H   UNL     1       1.095  -3.412   0.913  1.00  0.00           H  
HETATM   65  H   UNL     1       2.887  -5.101   0.953  1.00  0.00           H  
HETATM   66  H   UNL     1       5.240  -4.395   1.125  1.00  0.00           H  
HETATM   67  H   UNL     1       6.339  -1.254   2.168  1.00  0.00           H  
HETATM   68  H   UNL     1       6.847  -2.760   1.366  1.00  0.00           H  
HETATM   69  H   UNL     1       7.646  -1.253  -0.193  1.00  0.00           H  
HETATM   70  H   UNL     1       5.981  -1.411  -0.805  1.00  0.00           H  
HETATM   71  H   UNL     1       5.290   0.592   0.398  1.00  0.00           H  
HETATM   72  H   UNL     1       6.874   0.705   1.202  1.00  0.00           H  
HETATM   73  H   UNL     1       7.989   1.238  -0.847  1.00  0.00           H  
HETATM   74  H   UNL     1       6.583   0.752  -1.825  1.00  0.00           H  
HETATM   75  H   UNL     1       6.109   2.888   0.212  1.00  0.00           H  
HETATM   76  H   UNL     1       7.114   3.339  -1.186  1.00  0.00           H  
HETATM   77  H   UNL     1       5.228   3.563  -2.408  1.00  0.00           H  
HETATM   78  H   UNL     1       4.942   1.817  -2.218  1.00  0.00           H  
HETATM   79  H   UNL     1       4.205   3.066   0.246  1.00  0.00           H  
HETATM   80  H   UNL     1       3.471   4.019  -1.066  1.00  0.00           H  
HETATM   81  H   UNL     1       2.948   1.268   0.927  1.00  0.00           H  
CONECT    1    4    2   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    4    2   42   43                                       
CONECT    4    5    6    1    3                                       
CONECT    5   15    4   44   45                                       
CONECT    6    7    4                                                 
CONECT    7   14   14    8    6                                       
CONECT    8    9    9    7   46                                       
CONECT    9   10    8    8   47                                       
CONECT   10   11   13   13    9                                       
CONECT   11   12   10   48   49                                       
CONECT   12   11   50   51   52                                       
CONECT   13   10   10   14   53                                       
CONECT   14   13   15    7    7                                       
CONECT   15   16   14    5   54                                       
CONECT   16   17   15   55                                            
CONECT   17   18   16   56   57                                       
CONECT   18   20   19   17   58                                       
CONECT   19   18   59                                                 
CONECT   20   21   37   18   60                                       
CONECT   21   22   20   61   62                                       
CONECT   22   23   23   24   21                                       
CONECT   23   27   22   22   63                                       
CONECT   24   25   25   22   64                                       
CONECT   25   26   24   24   65                                       
CONECT   26   27   27   25   66                                       
CONECT   27   28   26   26   23                                       
CONECT   28   27   29   67   68                                       
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   71   72                                       
CONECT   31   30   32   73   74                                       
CONECT   32   31   33   75   76                                       
CONECT   33   32   34   77   78                                       
CONECT   34   33   35   79   80                                       
CONECT   35   37   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   20   35   81                                            
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   37                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
