COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.391   4.171  -0.449  1.00  0.00           N  
HETATM    2  N   UNL     1       1.063   3.202   0.249  1.00  0.00           N  
HETATM    3  C   UNL     1       3.212   4.326  -0.095  1.00  0.00           C  
HETATM    4  C   UNL     1       2.398   5.550  -0.502  1.00  0.00           C  
HETATM    5  C   UNL     1       1.147   5.123  -1.272  1.00  0.00           C  
HETATM    6  C   UNL     1       2.424   3.032  -0.285  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.188  -1.705   0.107  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.005  -2.994   0.865  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.380  -2.697   2.229  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.085  -3.928   0.077  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.912  -4.351   0.965  1.00  0.00           C  
HETATM   12  C   UNL     1       0.195  -4.940   0.089  1.00  0.00           C  
HETATM   13  C   UNL     1       3.110   1.916   0.454  1.00  0.00           C  
HETATM   14  C   UNL     1       4.556   0.040   0.638  1.00  0.00           C  
HETATM   15  C   UNL     1       4.656  -1.330   0.029  1.00  0.00           C  
HETATM   16  C   UNL     1       3.577  -2.187   0.075  1.00  0.00           C  
HETATM   17  C   UNL     1       3.684  -3.471  -0.461  1.00  0.00           C  
HETATM   18  C   UNL     1       4.883  -3.875  -1.057  1.00  0.00           C  
HETATM   19  C   UNL     1       5.948  -3.000  -1.114  1.00  0.00           C  
HETATM   20  C   UNL     1       5.835  -1.733  -0.570  1.00  0.00           C  
HETATM   21  C   UNL     1       2.539  -4.403  -0.406  1.00  0.00           C  
HETATM   22  C   UNL     1       1.357  -3.984   0.024  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.480  -4.943  -1.587  1.00  0.00           C  
HETATM   24  C   UNL     1       5.963   0.620   0.796  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.601  -1.513  -0.937  1.00  0.00           O  
HETATM   26  O   UNL     1       3.069   1.904   1.662  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.817  -5.086  -0.329  1.00  0.00           O  
HETATM   28  O   UNL     1       3.765   0.936  -0.181  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.029  -0.757   0.618  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.123   0.492  -0.176  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.302   1.547   0.518  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.296   1.614   1.729  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.582   0.943  -0.258  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.672   2.232  -1.078  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.416  -0.148  -0.931  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.566   2.426  -0.216  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.723   3.362   0.551  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.949   4.238  -0.394  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.542   5.012  -1.115  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.748   2.569   1.425  1.00  0.00           C  
HETATM   41  H   UNL     1       1.086   3.417   1.235  1.00  0.00           H  
HETATM   42  H   UNL     1       4.116   4.284  -0.702  1.00  0.00           H  
HETATM   43  H   UNL     1       3.492   4.419   0.954  1.00  0.00           H  
HETATM   44  H   UNL     1       2.101   6.100   0.391  1.00  0.00           H  
HETATM   45  H   UNL     1       3.007   6.194  -1.136  1.00  0.00           H  
HETATM   46  H   UNL     1       1.439   4.646  -2.207  1.00  0.00           H  
HETATM   47  H   UNL     1       0.530   5.997  -1.481  1.00  0.00           H  
HETATM   48  H   UNL     1       2.364   2.781  -1.343  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.974  -3.472   1.006  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.079  -2.117   2.831  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.155  -3.635   2.737  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.460  -2.128   2.092  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.707  -3.409  -0.803  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.529  -3.482   1.500  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.249  -5.101   1.681  1.00  0.00           H  
HETATM   56  H   UNL     1       0.528  -5.887   0.515  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.191  -5.112  -0.916  1.00  0.00           H  
HETATM   58  H   UNL     1       4.094  -0.043   1.622  1.00  0.00           H  
HETATM   59  H   UNL     1       2.651  -1.865   0.527  1.00  0.00           H  
HETATM   60  H   UNL     1       4.975  -4.869  -1.470  1.00  0.00           H  
HETATM   61  H   UNL     1       6.871  -3.306  -1.584  1.00  0.00           H  
HETATM   62  H   UNL     1       6.674  -1.054  -0.614  1.00  0.00           H  
HETATM   63  H   UNL     1       2.666  -5.432  -0.705  1.00  0.00           H  
HETATM   64  H   UNL     1       1.226  -2.957   0.325  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.076  -5.833  -1.787  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.131  -4.069  -1.557  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.739  -4.817  -2.376  1.00  0.00           H  
HETATM   68  H   UNL     1       5.902   1.598   1.274  1.00  0.00           H  
HETATM   69  H   UNL     1       6.565  -0.049   1.411  1.00  0.00           H  
HETATM   70  H   UNL     1       6.425   0.724  -0.186  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.527  -0.892   1.439  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.732   0.321  -1.179  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.964   1.124   0.747  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.290   2.051  -2.083  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.712   2.554  -1.137  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.078   3.010  -0.598  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.035  -0.330  -1.936  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.352  -1.067  -0.347  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.456   0.173  -0.990  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.595   2.436  -1.186  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.355   3.983   1.186  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.101   1.964   0.790  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.140   3.260   2.009  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.308   1.919   2.097  1.00  0.00           H  
CONECT    1    2   38    5                                            
CONECT    2    1    6   41                                            
CONECT    3    6    4   42   43                                       
CONECT    4    5    3   44   45                                       
CONECT    5    1    4   46   47                                       
CONECT    6    2   13    3   48                                       
CONECT    7   29    8   25   25                                       
CONECT    8   10    9    7   49                                       
CONECT    9    8   50   51   52                                       
CONECT   10   27   11    8   53                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   22   56   57                                       
CONECT   13   26   26    6   28                                       
CONECT   14   15   28   24   58                                       
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15   59                                       
CONECT   17   18   21   16   16                                       
CONECT   18   19   19   17   60                                       
CONECT   19   18   18   20   61                                       
CONECT   20   19   15   15   62                                       
CONECT   21   17   22   22   63                                       
CONECT   22   21   21   12   64                                       
CONECT   23   27   65   66   67                                       
CONECT   24   14   68   69   70                                       
CONECT   25    7    7                                                 
CONECT   26   13   13                                                 
CONECT   27   23   10                                                 
CONECT   28   13   14                                                 
CONECT   29   30    7   71                                            
CONECT   30   33   29   31   72                                       
CONECT   31   32   32   30   36                                       
CONECT   32   31   31                                                 
CONECT   33   35   34   30   73                                       
CONECT   34   33   74   75   76                                       
CONECT   35   33   77   78   79                                       
CONECT   36   31   37   80                                            
CONECT   37   36   38   40   81                                       
CONECT   38   37    1   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   37   82   83   84                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
