COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.548   1.957  -1.820  1.00  0.00           O  
HETATM    2  C   UNL     1       9.567   1.324  -1.677  1.00  0.00           C  
HETATM    3  O   UNL     1      10.261   0.919  -2.752  1.00  0.00           O  
HETATM    4  C   UNL     1      10.062   0.994  -0.292  1.00  0.00           C  
HETATM    5  C   UNL     1      10.138  -0.525  -0.126  1.00  0.00           C  
HETATM    6  C   UNL     1      11.453   1.599  -0.090  1.00  0.00           C  
HETATM    7  O   UNL     1       9.161   1.535   0.677  1.00  0.00           O  
HETATM    8  C   UNL     1       7.881   1.082   0.650  1.00  0.00           C  
HETATM    9  C   UNL     1       6.983   1.485   1.628  1.00  0.00           C  
HETATM   10  C   UNL     1       5.682   1.026   1.603  1.00  0.00           C  
HETATM   11  C   UNL     1       7.472   0.220  -0.360  1.00  0.00           C  
HETATM   12  C   UNL     1       6.174  -0.241  -0.390  1.00  0.00           C  
HETATM   13  C   UNL     1       5.271   0.157   0.595  1.00  0.00           C  
HETATM   14  C   UNL     1       3.872  -0.338   0.565  1.00  0.00           C  
HETATM   15  C   UNL     1       2.836  -0.029   1.489  1.00  0.00           C  
HETATM   16  N   UNL     1       3.341  -1.145  -0.321  1.00  0.00           N  
HETATM   17  O   UNL     1       2.178  -1.365  -0.075  1.00  0.00           O  
HETATM   18  C   UNL     1       1.770  -0.720   1.027  1.00  0.00           C  
HETATM   19  C   UNL     1       0.390  -0.757   1.632  1.00  0.00           C  
HETATM   20  C   UNL     1       0.268  -1.977   2.548  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.086  -1.948   3.259  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.600  -0.846   0.575  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.802  -0.289   0.815  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.018   0.255   1.879  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.767  -0.336  -0.125  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.507  -0.992  -1.409  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.881  -2.449  -1.313  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.164  -2.856  -1.628  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.507  -4.192  -1.540  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.566  -5.122  -1.137  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.283  -4.715  -0.823  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.939  -3.380  -0.916  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.970   0.221   0.116  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.186   0.765   1.181  1.00  0.00           O  
HETATM   35  N   UNL     1      -4.935   0.174  -0.825  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.153   0.828  -0.610  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.812   1.434  -1.671  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.706   0.866   0.662  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.913   1.514   0.874  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.455   1.552   2.120  1.00  0.00           O  
HETATM   41  C   UNL     1      -9.701   2.237   2.265  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.568   2.125  -0.186  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.019   2.082  -1.458  1.00  0.00           C  
HETATM   44  O   UNL     1      -8.664   2.676  -2.497  1.00  0.00           O  
HETATM   45  C   UNL     1      -9.903   3.325  -2.205  1.00  0.00           C  
HETATM   46  H   UNL     1       9.907   1.158  -3.619  1.00  0.00           H  
HETATM   47  H   UNL     1      10.717  -0.952  -0.945  1.00  0.00           H  
HETATM   48  H   UNL     1      10.620  -0.763   0.822  1.00  0.00           H  
HETATM   49  H   UNL     1       9.131  -0.942  -0.137  1.00  0.00           H  
HETATM   50  H   UNL     1      12.118   1.253  -0.881  1.00  0.00           H  
HETATM   51  H   UNL     1      11.384   2.687  -0.124  1.00  0.00           H  
HETATM   52  H   UNL     1      11.846   1.290   0.878  1.00  0.00           H  
HETATM   53  H   UNL     1       7.302   2.158   2.410  1.00  0.00           H  
HETATM   54  H   UNL     1       4.984   1.340   2.365  1.00  0.00           H  
HETATM   55  H   UNL     1       8.172  -0.088  -1.122  1.00  0.00           H  
HETATM   56  H   UNL     1       5.856  -0.911  -1.176  1.00  0.00           H  
HETATM   57  H   UNL     1       2.888   0.610   2.359  1.00  0.00           H  
HETATM   58  H   UNL     1       0.223   0.150   2.212  1.00  0.00           H  
HETATM   59  H   UNL     1       0.347  -2.887   1.954  1.00  0.00           H  
HETATM   60  H   UNL     1       1.068  -1.957   3.289  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.173  -2.817   3.911  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.165  -1.038   3.853  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.886  -1.968   2.518  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.102  -0.515  -2.188  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.449  -0.904  -1.655  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.899  -2.129  -1.942  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.509  -4.510  -1.786  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.834  -6.166  -1.068  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.549  -5.442  -0.508  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.936  -3.062  -0.670  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.784  -0.313  -1.650  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.384   1.401  -2.662  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.197   0.391   1.487  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.020   2.192   3.306  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.580   3.279   1.967  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.452   1.763   1.633  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.509   2.629  -0.020  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.607   2.599  -1.800  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.735   4.116  -1.474  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.311   3.756  -3.119  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   46                                                 
CONECT    4    7    6    5    2                                       
CONECT    5    4   47   48   49                                       
CONECT    6    4   50   51   52                                       
CONECT    7    8    4                                                 
CONECT    8   11    7    9    9                                       
CONECT    9    8    8   10   53                                       
CONECT   10   13   13    9   54                                       
CONECT   11   12   12    8   55                                       
CONECT   12   11   11   13   56                                       
CONECT   13   12   14   10   10                                       
CONECT   14   16   16   15   13                                       
CONECT   15   18   18   14   57                                       
CONECT   16   17   14   14                                            
CONECT   17   18   16                                                 
CONECT   18   19   17   15   15                                       
CONECT   19   22   18   20   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   20   61   62   63                                       
CONECT   22   23   19                                                 
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   33   26   23                                            
CONECT   26   27   25   64   65                                       
CONECT   27   32   26   28   28                                       
CONECT   28   27   27   29   66                                       
CONECT   29   30   30   28   67                                       
CONECT   30   31   29   29   68                                       
CONECT   31   32   32   30   69                                       
CONECT   32   31   31   27   70                                       
CONECT   33   34   34   35   25                                       
CONECT   34   33   33                                                 
CONECT   35   36   33   71                                            
CONECT   36   37   35   38   38                                       
CONECT   37   43   43   36   72                                       
CONECT   38   36   36   39   73                                       
CONECT   39   42   42   38   40                                       
CONECT   40   39   41                                                 
CONECT   41   40   74   75   76                                       
CONECT   42   43   39   39   77                                       
CONECT   43   44   37   37   42                                       
CONECT   44   45   43                                                 
CONECT   45   44   78   79   80                                       
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   15                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
