COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.141   2.560  -1.929  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.155   3.296  -2.279  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.357   4.456  -1.300  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.388   3.907   0.129  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.086   3.153   0.409  1.00  0.00           C  
HETATM    6  N   UNL     1       0.061   2.054  -0.553  1.00  0.00           N  
HETATM    7  C   UNL     1       1.174   1.262  -0.245  1.00  0.00           C  
HETATM    8  C   UNL     1       2.438   1.827  -0.220  1.00  0.00           C  
HETATM    9  C   UNL     1       3.540   1.045   0.085  1.00  0.00           C  
HETATM   10  O   UNL     1       4.866   1.298   0.187  1.00  0.00           O  
HETATM   11  C   UNL     1       5.489   0.153   0.516  1.00  0.00           C  
HETATM   12  N   UNL     1       6.847   0.020   0.708  1.00  0.00           N  
HETATM   13  C   UNL     1       7.592   0.461  -0.480  1.00  0.00           C  
HETATM   14  C   UNL     1       9.094   0.352  -0.202  1.00  0.00           C  
HETATM   15  O   UNL     1       9.410  -0.993   0.166  1.00  0.00           O  
HETATM   16  C   UNL     1       8.702  -1.455   1.320  1.00  0.00           C  
HETATM   17  C   UNL     1       7.196  -1.365   1.058  1.00  0.00           C  
HETATM   18  N   UNL     1       4.618  -0.816   0.628  1.00  0.00           N  
HETATM   19  C   UNL     1       3.375  -0.319   0.369  1.00  0.00           C  
HETATM   20  C   UNL     1       2.100  -0.885   0.343  1.00  0.00           C  
HETATM   21  C   UNL     1       1.005  -0.096   0.043  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.278  -0.660   0.021  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.450  -1.928  -0.403  1.00  0.00           C  
HETATM   24  O   UNL     1       0.515  -2.609  -0.689  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.815  -2.491  -0.520  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.864  -1.741  -0.206  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.984  -3.800  -0.964  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.266  -4.319  -1.071  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.338  -3.513  -0.731  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.099  -2.207  -0.298  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.241  -1.335   0.070  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.021  -0.029   0.505  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.132   0.745   0.837  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.314   2.116   1.319  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.635   2.306   1.464  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.311   1.168   1.114  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.424   0.193   0.726  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.578  -1.057   0.306  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.552  -1.811  -0.020  1.00  0.00           C  
HETATM   40  H   UNL     1       0.280   1.725  -2.616  1.00  0.00           H  
HETATM   41  H   UNL     1       0.983   3.246  -2.016  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.089   3.686  -3.295  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.996   2.607  -2.207  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.535   5.165  -1.400  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.300   4.957  -1.519  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.489   4.733   0.834  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.233   3.228   0.240  1.00  0.00           H  
HETATM   48  H   UNL     1       0.758   3.836   0.312  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.111   2.749   1.421  1.00  0.00           H  
HETATM   50  H   UNL     1       2.564   2.877  -0.440  1.00  0.00           H  
HETATM   51  H   UNL     1       7.332  -0.172  -1.329  1.00  0.00           H  
HETATM   52  H   UNL     1       7.338   1.496  -0.706  1.00  0.00           H  
HETATM   53  H   UNL     1       9.650   0.624  -1.099  1.00  0.00           H  
HETATM   54  H   UNL     1       9.363   1.026   0.612  1.00  0.00           H  
HETATM   55  H   UNL     1       8.974  -2.490   1.523  1.00  0.00           H  
HETATM   56  H   UNL     1       8.960  -0.835   2.178  1.00  0.00           H  
HETATM   57  H   UNL     1       6.652  -1.662   1.954  1.00  0.00           H  
HETATM   58  H   UNL     1       6.930  -2.027   0.234  1.00  0.00           H  
HETATM   59  H   UNL     1       1.968  -1.934   0.561  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.043  -0.138   0.311  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.127  -4.404  -1.223  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.425  -5.332  -1.414  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.348  -3.888  -0.803  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.021   0.371   0.581  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.535   2.837   1.519  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.096   3.220   1.806  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.275   1.064   1.138  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.726  -2.822  -0.356  1.00  0.00           H  
CONECT    1    6    2   40   41                                       
CONECT    2    3    1   42   43                                       
CONECT    3    4    2   44   45                                       
CONECT    4    5    3   46   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    5    7    1                                            
CONECT    7    6   21   21    8                                       
CONECT    8    7    9    9   50                                       
CONECT    9    8    8   19   10                                       
CONECT   10    9   11                                                 
CONECT   11   18   18   10   12                                       
CONECT   12   11   13   17                                            
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   53   54                                       
CONECT   15   14   16                                                 
CONECT   16   17   15   55   56                                       
CONECT   17   12   16   57   58                                       
CONECT   18   19   11   11                                            
CONECT   19   20   20    9   18                                       
CONECT   20   21   19   19   59                                       
CONECT   21   22    7    7   20                                       
CONECT   22   23   21   60                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   27   27   26   23                                       
CONECT   26   30   30   25                                            
CONECT   27   28   25   25   61                                       
CONECT   28   29   29   27   62                                       
CONECT   29   28   28   30   63                                       
CONECT   30   29   31   26   26                                       
CONECT   31   39   30   32   32                                       
CONECT   32   31   31   33   64                                       
CONECT   33   37   37   32   34                                       
CONECT   34   35   35   33   65                                       
CONECT   35   36   34   34   66                                       
CONECT   36   37   35   67                                            
CONECT   37   38   36   33   33                                       
CONECT   38   39   39   37                                            
CONECT   39   38   38   31   68                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
