COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.905  -2.014  -1.820  1.00  0.00           C  
HETATM    2  C   UNL     1       1.751  -3.264  -1.661  1.00  0.00           C  
HETATM    3  C   UNL     1       2.175  -3.626  -0.246  1.00  0.00           C  
HETATM    4  C   UNL     1       3.574  -4.253  -0.316  1.00  0.00           C  
HETATM    5  O   UNL     1       5.083  -2.935   1.041  1.00  0.00           O  
HETATM    6  C   UNL     1       4.319  -4.141   1.010  1.00  0.00           C  
HETATM    7  C   UNL     1       5.271  -2.380   2.343  1.00  0.00           C  
HETATM    8  C   UNL     1       6.050  -1.068   2.230  1.00  0.00           C  
HETATM    9  C   UNL     1       5.075   0.102   2.071  1.00  0.00           C  
HETATM   10  C   UNL     1       5.495   0.950   0.872  1.00  0.00           C  
HETATM   11  C   UNL     1       3.662   2.457   0.238  1.00  0.00           C  
HETATM   12  C   UNL     1       3.004   1.377  -0.317  1.00  0.00           C  
HETATM   13  C   UNL     1       1.820   1.572  -1.035  1.00  0.00           C  
HETATM   14  C   UNL     1       1.316   2.863  -1.194  1.00  0.00           C  
HETATM   15  C   UNL     1       1.984   3.937  -0.639  1.00  0.00           C  
HETATM   16  C   UNL     1       3.150   3.740   0.076  1.00  0.00           C  
HETATM   17  C   UNL     1       1.439   5.330  -0.817  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.029   6.940   0.184  1.00  0.00           C  
HETATM   19  C   UNL     1       1.106   0.414  -1.621  1.00  0.00           C  
HETATM   20  C   UNL     1       2.182  -2.448   0.716  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.388  -2.092  -1.016  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.267  -0.884  -1.347  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.514   0.005  -1.185  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.909  -0.289  -0.696  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.279   0.063   0.588  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.558  -0.207   1.037  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.467  -0.829   0.201  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.097  -1.180  -1.084  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.819  -0.906  -1.534  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.962   0.176   2.437  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.139   1.153   2.379  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.377  -1.077   3.210  1.00  0.00           C  
HETATM   33  N   UNL     1       1.691  -0.811  -1.516  1.00  0.00           N  
HETATM   34  N   UNL     1       4.863   2.287   0.963  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.638  -1.136  -0.883  1.00  0.00           N  
HETATM   36  O   UNL     1       0.547   5.634   0.257  1.00  0.00           O  
HETATM   37  O   UNL     1       0.045   0.578  -2.189  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.084  -3.294  -1.348  1.00  0.00           O  
HETATM   39  H   UNL     1       0.614  -1.948  -2.891  1.00  0.00           H  
HETATM   40  H   UNL     1       1.193  -4.117  -2.083  1.00  0.00           H  
HETATM   41  H   UNL     1       2.655  -3.157  -2.281  1.00  0.00           H  
HETATM   42  H   UNL     1       1.486  -4.392   0.142  1.00  0.00           H  
HETATM   43  H   UNL     1       3.475  -5.307  -0.589  1.00  0.00           H  
HETATM   44  H   UNL     1       4.148  -3.746  -1.096  1.00  0.00           H  
HETATM   45  H   UNL     1       3.646  -4.199   1.857  1.00  0.00           H  
HETATM   46  H   UNL     1       5.020  -4.987   1.086  1.00  0.00           H  
HETATM   47  H   UNL     1       4.305  -2.191   2.808  1.00  0.00           H  
HETATM   48  H   UNL     1       5.836  -3.082   2.958  1.00  0.00           H  
HETATM   49  H   UNL     1       6.649  -0.922   3.129  1.00  0.00           H  
HETATM   50  H   UNL     1       6.708  -1.111   1.360  1.00  0.00           H  
HETATM   51  H   UNL     1       4.067  -0.279   1.916  1.00  0.00           H  
HETATM   52  H   UNL     1       5.097   0.714   2.973  1.00  0.00           H  
HETATM   53  H   UNL     1       6.584   1.066   0.883  1.00  0.00           H  
HETATM   54  H   UNL     1       5.207   0.454  -0.053  1.00  0.00           H  
HETATM   55  H   UNL     1       3.398   0.379  -0.193  1.00  0.00           H  
HETATM   56  H   UNL     1       0.406   3.025  -1.753  1.00  0.00           H  
HETATM   57  H   UNL     1       3.668   4.582   0.511  1.00  0.00           H  
HETATM   58  H   UNL     1       2.262   6.045  -0.819  1.00  0.00           H  
HETATM   59  H   UNL     1       0.902   5.392  -1.764  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.596   7.036  -0.742  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.693   7.093   1.034  1.00  0.00           H  
HETATM   62  H   UNL     1       0.764   7.688   0.203  1.00  0.00           H  
HETATM   63  H   UNL     1       1.162  -2.094   0.864  1.00  0.00           H  
HETATM   64  H   UNL     1       2.600  -2.762   1.672  1.00  0.00           H  
HETATM   65  H   UNL     1       2.789  -1.643   0.301  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.154  -2.089   0.049  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.872   0.001  -0.849  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.272  -0.723  -2.425  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.534   0.172  -2.262  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.134   0.896  -0.686  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.569   0.549   1.241  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.466  -1.040   0.552  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.807  -1.667  -1.736  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.530  -1.181  -2.537  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.120   0.651   2.941  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.431   1.430   3.392  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.843   2.046   1.829  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.981   0.678   1.876  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.219  -1.553   2.706  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.539  -1.773   3.250  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.669  -0.800   4.222  1.00  0.00           H  
HETATM   82  H   UNL     1       2.641  -0.874  -1.287  1.00  0.00           H  
HETATM   83  H   UNL     1       5.250   3.008   1.492  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.653  -1.352   0.102  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.324  -3.364  -2.282  1.00  0.00           H  
CONECT    1   21    2   33   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3   20    2    4   42                                       
CONECT    4    3    6   43   44                                       
CONECT    5    6    7                                                 
CONECT    6    4    5   45   46                                       
CONECT    7    5    8   47   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10   34    9   53   54                                       
CONECT   11   12   12   16   34                                       
CONECT   12   13   11   11   55                                       
CONECT   13   19   14   14   12                                       
CONECT   14   13   13   15   56                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15   11   57                                       
CONECT   17   15   36   58   59                                       
CONECT   18   36   60   61   62                                       
CONECT   19   37   37   33   13                                       
CONECT   20    3   63   64   65                                       
CONECT   21   22   38    1   66                                       
CONECT   22   35   21   67   68                                       
CONECT   23   24   35   69   70                                       
CONECT   24   25   25   29   23                                       
CONECT   25   26   24   24   71                                       
CONECT   26   30   27   27   25                                       
CONECT   27   26   26   28   72                                       
CONECT   28   27   29   29   73                                       
CONECT   29   28   28   24   74                                       
CONECT   30   31   32   26   75                                       
CONECT   31   30   76   77   78                                       
CONECT   32   30   79   80   81                                       
CONECT   33    1   19   82                                            
CONECT   34   11   10   83                                            
CONECT   35   23   22   84                                            
CONECT   36   17   18                                                 
CONECT   37   19   19                                                 
CONECT   38   21   85                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   38                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
