COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       4.604  -0.462   0.488  1.00  0.00           O  
HETATM    2  C   UNL     1       4.585   0.680   0.073  1.00  0.00           C  
HETATM    3  O   UNL     1       5.734   1.287  -0.279  1.00  0.00           O  
HETATM    4  C   UNL     1       6.957   0.518  -0.137  1.00  0.00           C  
HETATM    5  C   UNL     1       8.150   1.450   0.162  1.00  0.00           C  
HETATM    6  C   UNL     1       9.357   0.876  -0.600  1.00  0.00           C  
HETATM    7  C   UNL     1       8.857  -0.385  -1.334  1.00  0.00           C  
HETATM    8  C   UNL     1       7.331  -0.160  -1.478  1.00  0.00           C  
HETATM    9  N   UNL     1       3.414   1.336  -0.041  1.00  0.00           N  
HETATM   10  C   UNL     1       2.163   0.673   0.336  1.00  0.00           C  
HETATM   11  C   UNL     1       1.937   0.829   1.842  1.00  0.00           C  
HETATM   12  C   UNL     1       1.961   2.313   2.210  1.00  0.00           C  
HETATM   13  C   UNL     1       0.579   0.232   2.218  1.00  0.00           C  
HETATM   14  C   UNL     1       3.044   0.096   2.602  1.00  0.00           C  
HETATM   15  C   UNL     1       1.016   1.301  -0.412  1.00  0.00           C  
HETATM   16  O   UNL     1       1.041   2.484  -0.679  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.038   0.549  -0.784  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.258   1.046  -1.437  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.933   2.064  -0.554  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.076   2.654  -0.957  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.732   3.644  -0.099  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.155   4.849  -0.941  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.840   5.883  -0.044  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.235   7.008  -0.831  1.00  0.00           O  
HETATM   25  B   UNL     1      -4.999   3.000   0.568  1.00  0.00           B  
HETATM   26  O   UNL     1      -6.051   2.499  -0.244  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.084   2.928   1.833  1.00  0.00           O1-
HETATM   28  O   UNL     1      -1.448   2.352   0.520  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.157  -0.911  -0.611  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.681  -1.186  -0.596  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.191  -0.165  -1.649  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.964  -2.526  -1.005  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.037  -3.464  -0.030  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.852  -3.125   1.230  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.914  -4.001   2.224  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.174  -5.319   2.007  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.383  -5.761   0.687  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.319  -4.806  -0.359  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.656  -7.103   0.384  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.850  -7.470  -0.914  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.781  -6.533  -1.943  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.529  -5.220  -1.682  1.00  0.00           C  
HETATM   43  H   UNL     1       3.398   2.247  -0.372  1.00  0.00           H  
HETATM   44  H   UNL     1       6.849  -0.227   0.652  1.00  0.00           H  
HETATM   45  H   UNL     1       7.932   2.459  -0.189  1.00  0.00           H  
HETATM   46  H   UNL     1       8.355   1.463   1.232  1.00  0.00           H  
HETATM   47  H   UNL     1       6.809  -1.110  -1.589  1.00  0.00           H  
HETATM   48  H   UNL     1       7.116   0.501  -2.318  1.00  0.00           H  
HETATM   49  H   UNL     1       9.726   1.607  -1.320  1.00  0.00           H  
HETATM   50  H   UNL     1      10.149   0.611   0.101  1.00  0.00           H  
HETATM   51  H   UNL     1       9.325  -0.466  -2.315  1.00  0.00           H  
HETATM   52  H   UNL     1       9.057  -1.276  -0.740  1.00  0.00           H  
HETATM   53  H   UNL     1       2.224  -0.387   0.086  1.00  0.00           H  
HETATM   54  H   UNL     1       1.173   2.835   1.668  1.00  0.00           H  
HETATM   55  H   UNL     1       1.800   2.425   3.282  1.00  0.00           H  
HETATM   56  H   UNL     1       2.929   2.738   1.942  1.00  0.00           H  
HETATM   57  H   UNL     1       0.590  -0.842   2.034  1.00  0.00           H  
HETATM   58  H   UNL     1       0.380   0.419   3.273  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.201   0.696   1.614  1.00  0.00           H  
HETATM   60  H   UNL     1       4.011   0.521   2.335  1.00  0.00           H  
HETATM   61  H   UNL     1       2.883   0.207   3.675  1.00  0.00           H  
HETATM   62  H   UNL     1       3.026  -0.962   2.340  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.008   1.497  -2.397  1.00  0.00           H  
HETATM   64  H   UNL     1       0.315  -1.431  -1.445  1.00  0.00           H  
HETATM   65  H   UNL     1       0.294  -1.218   0.333  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.228   0.108  -1.454  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.080  -0.566  -2.656  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.464   2.424  -1.816  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.038   3.968   0.677  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.275   5.296  -1.404  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.848   4.525  -1.717  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.720   5.436   0.418  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.146   6.207   0.732  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.677   7.705  -0.327  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.811   2.112   0.212  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.105  -0.982   0.387  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.752  -3.658   3.235  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.218  -6.013   2.833  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.711  -7.839   1.172  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.479  -4.505  -2.490  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.060  -8.503  -1.149  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.938  -6.852  -2.963  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    8   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    7   49   50                                       
CONECT    7    6    8   51   52                                       
CONECT    8    4    7   47   48                                       
CONECT    9    2   10   43                                            
CONECT   10    9   11   15   53                                       
CONECT   11   10   12   13   14                                       
CONECT   12   11   54   55   56                                       
CONECT   13   11   57   58   59                                       
CONECT   14   11   60   61   62                                       
CONECT   15   10   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   29                                            
CONECT   18   17   19   31   63                                       
CONECT   19   18   20   28   28                                       
CONECT   20   19   21   68                                            
CONECT   21   20   22   25   69                                       
CONECT   22   21   23   70   71                                       
CONECT   23   22   24   72   73                                       
CONECT   24   23   74                                                 
CONECT   25   21   26   27                                            
CONECT   26   25   75                                                 
CONECT   27   25                                                      
CONECT   28   19   19                                                 
CONECT   29   17   30   64   65                                       
CONECT   30   29   31   32   76                                       
CONECT   31   18   30   66   67                                       
CONECT   32   30   33                                                 
CONECT   33   32   34   38   38                                       
CONECT   34   33   35   35                                            
CONECT   35   34   34   36   77                                       
CONECT   36   35   37   37   78                                       
CONECT   37   36   36   38   39                                       
CONECT   38   33   33   37   42                                       
CONECT   39   37   40   40   79                                       
CONECT   40   39   39   41   81                                       
CONECT   41   40   42   42   82                                       
CONECT   42   38   41   41   80                                       
CONECT   43    9                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   18                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   30                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   39                                                      
CONECT   80   42                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
