COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.957   1.257  -0.774  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.168   1.446   0.142  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.807   2.412   1.272  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.334   2.020  -0.667  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.850   0.579  -0.008  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.013   0.277   1.155  1.00  0.00           O  
HETATM    7  N   UNL     1      -4.678   0.309  -0.616  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.601  -0.350   0.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.274  -0.004  -0.496  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.230   0.413  -1.634  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.806  -1.866   0.085  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.100  -2.227   0.816  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.896  -2.328  -1.371  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.137  -0.159   0.210  1.00  0.00           N  
HETATM   15  C   UNL     1       0.142   0.275  -0.357  1.00  0.00           C  
HETATM   16  C   UNL     1       1.264  -0.510   0.273  1.00  0.00           C  
HETATM   17  O   UNL     1       1.083  -1.090   1.322  1.00  0.00           O  
HETATM   18  C   UNL     1       0.345   1.766  -0.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.770   2.567  -0.754  1.00  0.00           C  
HETATM   20  C   UNL     1       0.307   2.012   1.431  1.00  0.00           C  
HETATM   21  N   UNL     1       2.467  -0.568  -0.331  1.00  0.00           N  
HETATM   22  C   UNL     1       3.530  -1.404   0.234  1.00  0.00           C  
HETATM   23  C   UNL     1       3.372  -2.840  -0.269  1.00  0.00           C  
HETATM   24  C   UNL     1       2.066  -3.428   0.268  1.00  0.00           C  
HETATM   25  C   UNL     1       1.846  -4.817  -0.335  1.00  0.00           C  
HETATM   26  C   UNL     1       2.146  -3.540   1.792  1.00  0.00           C  
HETATM   27  C   UNL     1       4.892  -0.859  -0.199  1.00  0.00           C  
HETATM   28  O   UNL     1       4.980  -0.876  -1.625  1.00  0.00           O  
HETATM   29  C   UNL     1       5.051   0.577   0.305  1.00  0.00           C  
HETATM   30  C   UNL     1       6.438   1.072  -0.015  1.00  0.00           C  
HETATM   31  O   UNL     1       7.220   0.350  -0.587  1.00  0.00           O  
HETATM   32  O   UNL     1       6.805   2.314   0.336  1.00  0.00           O  
HETATM   33  C   UNL     1       8.156   2.723  -0.004  1.00  0.00           C  
HETATM   34  C   UNL     1       8.389   4.159   0.472  1.00  0.00           C  
HETATM   35  H   UNL     1      -7.239   0.640  -1.627  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.612   2.229  -1.126  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.458   0.484   0.564  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.670   2.547   1.924  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.977   2.003   1.848  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.518   3.374   0.849  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.591   1.332  -1.472  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.196   2.155  -0.015  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.044   2.982  -1.090  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.547   0.550  -1.546  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.615  -0.011   1.164  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.964  -2.360   0.571  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.951  -1.822   0.269  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.192  -3.312   0.879  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.080  -1.805   1.821  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.973  -2.070  -1.891  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.041  -3.407  -1.401  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.737  -1.834  -1.857  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.165  -0.557   1.094  1.00  0.00           H  
HETATM   54  H   UNL     1       0.139   0.104  -1.434  1.00  0.00           H  
HETATM   55  H   UNL     1       1.310   2.082  -0.474  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.735   2.251  -0.358  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.626   3.629  -0.555  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.743   2.391  -1.829  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.624   1.620   1.840  1.00  0.00           H  
HETATM   60  H   UNL     1       1.151   1.509   1.902  1.00  0.00           H  
HETATM   61  H   UNL     1       0.367   3.083   1.626  1.00  0.00           H  
HETATM   62  H   UNL     1       2.630  -0.057  -1.138  1.00  0.00           H  
HETATM   63  H   UNL     1       3.463  -1.391   1.322  1.00  0.00           H  
HETATM   64  H   UNL     1       3.350  -2.842  -1.359  1.00  0.00           H  
HETATM   65  H   UNL     1       4.212  -3.442   0.078  1.00  0.00           H  
HETATM   66  H   UNL     1       1.235  -2.778  -0.005  1.00  0.00           H  
HETATM   67  H   UNL     1       2.677  -5.468  -0.061  1.00  0.00           H  
HETATM   68  H   UNL     1       0.915  -5.236   0.049  1.00  0.00           H  
HETATM   69  H   UNL     1       1.788  -4.737  -1.420  1.00  0.00           H  
HETATM   70  H   UNL     1       2.303  -2.551   2.221  1.00  0.00           H  
HETATM   71  H   UNL     1       1.216  -3.959   2.175  1.00  0.00           H  
HETATM   72  H   UNL     1       2.977  -4.191   2.065  1.00  0.00           H  
HETATM   73  H   UNL     1       5.683  -1.480   0.221  1.00  0.00           H  
HETATM   74  H   UNL     1       4.306  -0.342  -2.067  1.00  0.00           H  
HETATM   75  H   UNL     1       4.315   1.217  -0.184  1.00  0.00           H  
HETATM   76  H   UNL     1       4.895   0.603   1.383  1.00  0.00           H  
HETATM   77  H   UNL     1       8.870   2.059   0.482  1.00  0.00           H  
HETATM   78  H   UNL     1       8.290   2.672  -1.085  1.00  0.00           H  
HETATM   79  H   UNL     1       7.675   4.823  -0.015  1.00  0.00           H  
HETATM   80  H   UNL     1       8.255   4.210   1.552  1.00  0.00           H  
HETATM   81  H   UNL     1       9.403   4.466   0.216  1.00  0.00           H  
CONECT    1    2    5   35   36                                       
CONECT    2    1    3    4   37                                       
CONECT    3    2   38   39   40                                       
CONECT    4    2   41   42   43                                       
CONECT    5    1    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    8   44    5                                            
CONECT    8    7    9   11   45                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   13   46                                       
CONECT   12   11   47   48   49                                       
CONECT   13   11   50   51   52                                       
CONECT   14   15   53    9                                            
CONECT   15   14   16   18   54                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   55                                       
CONECT   19   18   56   57   58                                       
CONECT   20   18   59   60   61                                       
CONECT   21   22   62   16                                            
CONECT   22   23   21   27   63                                       
CONECT   23   24   22   64   65                                       
CONECT   24   25   23   26   66                                       
CONECT   25   24   67   68   69                                       
CONECT   26   24   70   71   72                                       
CONECT   27   28   22   29   73                                       
CONECT   28   27   74                                                 
CONECT   29   27   30   75   76                                       
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   30   33                                                 
CONECT   33   32   34   77   78                                       
CONECT   34   33   79   80   81                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
