COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.648  -1.303  -0.260  1.00  0.00           N  
HETATM    2  C   UNL     1       1.215  -3.092   0.590  1.00  0.00           C  
HETATM    3  C   UNL     1       3.282  -0.747  -1.341  1.00  0.00           C  
HETATM    4  C   UNL     1       3.562   0.736  -1.323  1.00  0.00           C  
HETATM    5  C   UNL     1       1.550   1.740  -0.455  1.00  0.00           C  
HETATM    6  O   UNL     1       1.976   1.482   0.654  1.00  0.00           O  
HETATM    7  N   UNL     1       2.290   1.454  -1.563  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.737   0.050   2.074  1.00  0.00           O  
HETATM    9  C   UNL     1       0.230   2.367  -0.619  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.464  -2.832  -1.043  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.502   2.659   0.452  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.943   2.260   0.650  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.533  -0.088   0.891  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.192  -1.456   0.358  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.116  -2.593   0.089  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.287  -2.446   0.758  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.595  -2.072   0.058  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.438  -2.262  -1.452  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.723  -2.969   0.570  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.294   2.728   0.106  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.649   4.084   0.721  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.372   1.706   0.470  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.788   1.945  -0.057  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.620   0.739  -0.409  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.703   0.316  -1.723  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.466  -0.790  -2.046  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.147  -1.474  -1.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.063  -1.051   0.258  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.296   0.051   0.582  1.00  0.00           C  
HETATM   30  C   UNL     1       4.130   1.137   0.040  1.00  0.00           C  
HETATM   31  C   UNL     1       5.542   0.625   0.166  1.00  0.00           C  
HETATM   32  C   UNL     1       2.307  -2.739  -0.422  1.00  0.00           C  
HETATM   33  C   UNL     1       6.600   1.412  -0.248  1.00  0.00           C  
HETATM   34  C   UNL     1       7.896   0.945  -0.134  1.00  0.00           C  
HETATM   35  C   UNL     1       8.134  -0.315   0.398  1.00  0.00           C  
HETATM   36  C   UNL     1       7.069  -1.102   0.813  1.00  0.00           C  
HETATM   37  C   UNL     1       5.776  -0.628   0.701  1.00  0.00           C  
HETATM   38  C   UNL     1       9.576  -2.083   1.068  1.00  0.00           C  
HETATM   39  C   UNL     1       1.533  -2.432   1.934  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.865   3.283   0.286  1.00  0.00           C  
HETATM   41  O   UNL     1       3.610  -1.429  -2.288  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.608   0.973   0.068  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.916  -1.884   0.901  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.439   2.135   1.317  1.00  0.00           O  
HETATM   45  O   UNL     1       9.407  -0.777   0.512  1.00  0.00           O  
HETATM   46 CL   UNL     1       9.226   1.933  -0.654  1.00  0.00          Cl  
HETATM   47  H   UNL     1       2.444  -0.801   0.544  1.00  0.00           H  
HETATM   48  H   UNL     1       1.173  -4.173   0.717  1.00  0.00           H  
HETATM   49  H   UNL     1       4.278   0.984  -2.106  1.00  0.00           H  
HETATM   50  H   UNL     1       2.001   1.705  -2.454  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.147   2.587  -1.608  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.125   2.444   1.439  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.001   2.164   1.734  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.120  -1.414  -0.729  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.992  -3.453   0.462  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.431  -2.413   1.838  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.835  -1.030   0.270  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.225  -3.309  -1.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.360  -1.968  -1.953  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.615  -1.643  -1.813  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.835  -2.833   1.646  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.655  -2.702   0.071  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.483  -4.011   0.358  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.236   2.825  -0.978  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.881   4.813   0.462  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.612   4.418   0.334  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.707   3.987   1.805  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.033   0.674   0.564  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.961   2.833  -0.665  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.172   0.851  -2.497  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.531  -1.120  -3.072  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.744  -2.338  -1.309  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.595  -1.585   1.031  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.231   0.381   1.608  1.00  0.00           H  
HETATM   75  H   UNL     1       4.128   2.223   0.130  1.00  0.00           H  
HETATM   76  H   UNL     1       3.515   0.706   0.831  1.00  0.00           H  
HETATM   77  H   UNL     1       1.942  -2.918  -1.433  1.00  0.00           H  
HETATM   78  H   UNL     1       3.191  -3.349  -0.236  1.00  0.00           H  
HETATM   79  H   UNL     1       6.414   2.392  -0.662  1.00  0.00           H  
HETATM   80  H   UNL     1       7.251  -2.083   1.227  1.00  0.00           H  
HETATM   81  H   UNL     1       4.948  -1.241   1.024  1.00  0.00           H  
HETATM   82  H   UNL     1       9.054  -2.812   0.449  1.00  0.00           H  
HETATM   83  H   UNL     1      10.637  -2.329   1.102  1.00  0.00           H  
HETATM   84  H   UNL     1       9.166  -2.104   2.078  1.00  0.00           H  
HETATM   85  H   UNL     1       1.443  -1.350   1.838  1.00  0.00           H  
HETATM   86  H   UNL     1       0.832  -2.789   2.688  1.00  0.00           H  
HETATM   87  H   UNL     1       2.549  -2.688   2.232  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.950   4.149   0.943  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.997   3.598  -0.749  1.00  0.00           H  
CONECT    1   32    3   47                                            
CONECT    2   39   15   32   48                                       
CONECT    3    1    4   41   41                                       
CONECT    4    7    3   30   49                                       
CONECT    5    9    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    4   50                                            
CONECT    8   13   13                                                 
CONECT    9   11   11    5   51                                       
CONECT   10   15   15                                                 
CONECT   11   40    9    9   52                                       
CONECT   12   20   42   40   53                                       
CONECT   13    8    8   14   42                                       
CONECT   14   16   13   43   54                                       
CONECT   15   43    2   10   10                                       
CONECT   16   17   14   55   56                                       
CONECT   17   19   18   16   57                                       
CONECT   18   17   58   59   60                                       
CONECT   19   17   61   62   63                                       
CONECT   20   22   12   21   64                                       
CONECT   21   20   65   66   67                                       
CONECT   22   23   44   20   68                                       
CONECT   23   24   44   22   69                                       
CONECT   24   25   25   29   23                                       
CONECT   25   26   24   24   70                                       
CONECT   26   27   27   25   71                                       
CONECT   27   26   26   28   72                                       
CONECT   28   27   29   29   73                                       
CONECT   29   28   28   24   74                                       
CONECT   30    4   31   75   76                                       
CONECT   31   37   30   33   33                                       
CONECT   32    2    1   77   78                                       
CONECT   33   31   31   34   79                                       
CONECT   34   35   35   33   46                                       
CONECT   35   36   45   34   34                                       
CONECT   36   37   37   35   80                                       
CONECT   37   36   36   31   81                                       
CONECT   38   45   82   83   84                                       
CONECT   39    2   85   86   87                                       
CONECT   40   12   11   88   89                                       
CONECT   41    3    3                                                 
CONECT   42   13   12                                                 
CONECT   43   14   15                                                 
CONECT   44   23   22                                                 
CONECT   45   35   38                                                 
CONECT   46   34                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
