COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.020   0.178  -0.593  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.080   0.727   0.041  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.400   0.708  -0.591  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.447   1.249   0.034  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.806   1.230  -0.616  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.816   0.578   0.331  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.558   0.707   1.134  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.701   0.197   0.038  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.643  -0.350  -0.594  1.00  0.00           N  
HETATM   10  C   UNL     1       0.678  -0.331   0.039  1.00  0.00           C  
HETATM   11  C   UNL     1       0.809  -1.528   0.982  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.285  -1.458   2.049  1.00  0.00           C  
HETATM   13  O   UNL     1       0.671  -2.739   0.237  1.00  0.00           O  
HETATM   14  C   UNL     1       1.744  -0.409  -1.023  1.00  0.00           C  
HETATM   15  O   UNL     1       1.446  -0.699  -2.162  1.00  0.00           O  
HETATM   16  N   UNL     1       3.030  -0.157  -0.707  1.00  0.00           N  
HETATM   17  C   UNL     1       4.080  -0.337  -1.713  1.00  0.00           C  
HETATM   18  C   UNL     1       5.193  -1.170  -1.136  1.00  0.00           C  
HETATM   19  O   UNL     1       6.239  -1.284  -1.739  1.00  0.00           O  
HETATM   20  N   UNL     1       5.028  -1.794   0.057  1.00  0.00           N  
HETATM   21  C   UNL     1       6.250  -2.292   0.726  1.00  0.00           C  
HETATM   22  C   UNL     1       7.258  -2.769  -0.322  1.00  0.00           C  
HETATM   23  C   UNL     1       6.836  -1.143   1.518  1.00  0.00           C  
HETATM   24  C   UNL     1       6.850   0.067   0.974  1.00  0.00           C  
HETATM   25  C   UNL     1       7.380   1.232   1.697  1.00  0.00           C  
HETATM   26  O   UNL     1       7.970   1.095   2.751  1.00  0.00           O  
HETATM   27  N   UNL     1       7.195   2.467   1.158  1.00  0.00           N  
HETATM   28  C   UNL     1       6.413   2.563  -0.090  1.00  0.00           C  
HETATM   29  C   UNL     1       5.005   2.020   0.158  1.00  0.00           C  
HETATM   30  C   UNL     1       4.181   2.097  -1.126  1.00  0.00           C  
HETATM   31  O   UNL     1       2.802   1.890  -0.816  1.00  0.00           O  
HETATM   32  C   UNL     1       4.644   1.029  -2.116  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.196   0.558  -0.329  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.205  -0.094   0.618  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.585  -0.113  -0.043  1.00  0.00           C  
HETATM   36  C   UNL     1     -13.594  -0.765   0.905  1.00  0.00           C  
HETATM   37  C   UNL     1     -14.974  -0.785   0.244  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.148  -0.278  -1.564  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.954   1.179   1.013  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.527   0.256  -1.564  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.320   1.701   1.007  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.119   2.251  -0.834  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.757   0.659  -1.543  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.502  -0.443   0.549  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.865   1.149   1.258  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.757  -0.756  -1.467  1.00  0.00           H  
HETATM   47  H   UNL     1       0.797   0.593   0.605  1.00  0.00           H  
HETATM   48  H   UNL     1       1.787  -1.507   1.462  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.259  -1.604   1.582  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.118  -2.239   2.792  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.257  -0.483   2.535  1.00  0.00           H  
HETATM   52  H   UNL     1       1.333  -2.851  -0.459  1.00  0.00           H  
HETATM   53  H   UNL     1       3.260   0.144   0.186  1.00  0.00           H  
HETATM   54  H   UNL     1       3.666  -0.836  -2.589  1.00  0.00           H  
HETATM   55  H   UNL     1       4.150  -1.909   0.454  1.00  0.00           H  
HETATM   56  H   UNL     1       5.997  -3.114   1.396  1.00  0.00           H  
HETATM   57  H   UNL     1       7.763  -1.907  -0.758  1.00  0.00           H  
HETATM   58  H   UNL     1       7.993  -3.420   0.151  1.00  0.00           H  
HETATM   59  H   UNL     1       6.736  -3.319  -1.105  1.00  0.00           H  
HETATM   60  H   UNL     1       7.224  -1.316   2.505  1.00  0.00           H  
HETATM   61  H   UNL     1       6.481   0.198  -0.037  1.00  0.00           H  
HETATM   62  H   UNL     1       7.564   3.258   1.580  1.00  0.00           H  
HETATM   63  H   UNL     1       6.352   3.605  -0.402  1.00  0.00           H  
HETATM   64  H   UNL     1       6.898   1.976  -0.869  1.00  0.00           H  
HETATM   65  H   UNL     1       5.070   0.982   0.484  1.00  0.00           H  
HETATM   66  H   UNL     1       4.521   2.612   0.934  1.00  0.00           H  
HETATM   67  H   UNL     1       4.306   3.082  -1.576  1.00  0.00           H  
HETATM   68  H   UNL     1       2.435   2.540  -0.201  1.00  0.00           H  
HETATM   69  H   UNL     1       5.733   0.984  -2.118  1.00  0.00           H  
HETATM   70  H   UNL     1       4.292   1.285  -3.115  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.509   1.579  -0.547  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.146  -0.012  -1.257  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.892  -1.115   0.836  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.254   0.477   1.545  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.898   0.908  -0.261  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.536  -0.684  -0.970  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.281  -1.786   1.122  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.644  -0.194   1.832  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.925  -1.355  -0.683  1.00  0.00           H  
HETATM   80  H   UNL     1     -15.693  -1.249   0.919  1.00  0.00           H  
HETATM   81  H   UNL     1     -15.288   0.236   0.026  1.00  0.00           H  
CONECT    1    2    2    8   38                                       
CONECT    2    1    1    3   39                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5   33   44   45                                       
CONECT    7    8    8                                                 
CONECT    8    1    7    7    9                                       
CONECT    9    8   10   46                                            
CONECT   10    9   11   14   47                                       
CONECT   11   10   12   13   48                                       
CONECT   12   11   49   50   51                                       
CONECT   13   11   52                                                 
CONECT   14   10   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   53                                            
CONECT   17   16   18   32   54                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   55                                            
CONECT   21   20   22   23   56                                       
CONECT   22   21   57   58   59                                       
CONECT   23   21   24   24   60                                       
CONECT   24   23   23   25   61                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   62                                            
CONECT   28   27   29   63   64                                       
CONECT   29   28   30   65   66                                       
CONECT   30   29   31   32   67                                       
CONECT   31   30   68                                                 
CONECT   32   17   30   69   70                                       
CONECT   33    6   34   71   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35   34   36   75   76                                       
CONECT   36   35   37   77   78                                       
CONECT   37   36   79   80   81                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
